ACA2014: Difference between revisions
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The following datasets were used at the "Data processing with the Pros" session of the [http://www.amercrystalassn.org/app/session/100172 ACA2014]. Keitaro Yamashita's talk about XDS processing may be [ | The following datasets were used at the "Data processing with the Pros" session of the [http://www.amercrystalassn.org/app/session/100172 ACA2014]. Keitaro Yamashita's talk about XDS processing may be [https://{{SERVERNAME}}/pub/XDS_Yamashita_ACA2014.pdf downloaded]. | ||
Data and descriptions are also [http://bl831.als.lbl.gov/example_data_sets/ACA2011/DPWTPreloaded/index.html here] (this has ACA2011 in the name but it really refers to ACA2014). | |||
== Thaumatin == | == Thaumatin == | ||
1800 frames collected on a Pilatus 6M detector at APS 24-ID-C. What is special about these data: | 1800 frames collected on a Pilatus 6M detector at APS 24-ID-C; data at [https://{{SERVERNAME}}/pub/datasets/ACA2014_thaumatin/]. What is special about these data: | ||
* tiny spots (1-2 pixel) | * tiny spots (1-2 pixel) | ||
* shutterless and fast | * shutterless and fast | ||
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== Trypsin == | == Trypsin == | ||
7200 frames collected (and 3600 frames provided) on a Pilatus 2M detector at BL-1A, PF. What is special about these data: | 7200 frames collected (and 3600 frames provided) on a Pilatus 2M detector at BL-1A, PF. Data are [http://bl831.als.lbl.gov/example_data_sets/ACA2011/DPWTPreloaded/trypsin_S-SAD.html here]. What is special about these data: | ||
* shutterless and fast | * shutterless and fast | ||
* low energy (2.7 A wavelength) | * low energy (2.7 A wavelength) | ||
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226 frames collected on a MarCCD 300 detector at BL XXX. What is special about these data: | 226 frames collected on a MarCCD 300 detector at BL XXX. What is special about these data: | ||
* hard-to-identify space group | * hard-to-identify space group | ||
The XDS data processing is documented at [[Trypsin_inhibitor_ACA2014]]. | The XDS data processing is documented at [[Trypsin_inhibitor_ACA2014]]. Data are at [https://{{SERVERNAME}}/pub/datasets/ACA2014_Trypsin_with_inhibitor/]. | ||
== "Tough Spots" == | == "Tough Spots" == | ||
Frames collected on an ADSC Q315 CCD detector at BL XXX. Only 10 frames are available. What is special about these data: | Frames collected on an ADSC Q315 CCD detector at BL XXX. Only 10 frames are available [https://{{SERVERNAME}}/pub/datasets/ACA2014_tough_spots/]. What is special about these data: | ||
* streaks rather than "spots" | * streaks rather than "spots" | ||
The XDS data processing is documented at [[Tough_Spots_ACA2014]]. | The XDS data processing is documented at [[Tough_Spots_ACA2014]]. | ||
== CagL == | |||
450 frames collected on an ADSC Q315 CCD detector at SSRL BL 11-1. What is special about these data: at the time, it was not clear what the space group was, and whether there was twinning. | |||
The data frames are at https://{{SERVERNAME}}/pub/datasets/ACA2014_hard_spacegroup/ | |||
The XDS data processing is (not yet) documented at [[CagL_ACA2014]]. There was no twinning, and the space group was P6522. The resulting structure was deposited as [https://www.rcsb.org/structure/4X5U 4X5U], and published in [http://www.jbc.org/content/290/20/12929.full JBC]. | |||
The XDS data processing is documented at [[CagL_ACA2014]]. | |||
Latest revision as of 14:19, 24 March 2020
The following datasets were used at the "Data processing with the Pros" session of the ACA2014. Keitaro Yamashita's talk about XDS processing may be downloaded.
Data and descriptions are also here (this has ACA2011 in the name but it really refers to ACA2014).
Thaumatin
1800 frames collected on a Pilatus 6M detector at APS 24-ID-C; data at [1]. What is special about these data:
- tiny spots (1-2 pixel)
- shutterless and fast
- the header is wrong: the direct beam position is at 1288.9 1262.6 rather than at 1265.47 1273.87 . If not corrected, this may lead to mis-indexing
The XDS data processing is documented at Thaumatin_ACA2014.
Trypsin
7200 frames collected (and 3600 frames provided) on a Pilatus 2M detector at BL-1A, PF. Data are here. What is special about these data:
- shutterless and fast
- low energy (2.7 A wavelength)
The XDS data processing is documented at Trypsin_ACA2014.
Trypsin with a tight-binding protein inhibitor
226 frames collected on a MarCCD 300 detector at BL XXX. What is special about these data:
- hard-to-identify space group
The XDS data processing is documented at Trypsin_inhibitor_ACA2014. Data are at [2].
"Tough Spots"
Frames collected on an ADSC Q315 CCD detector at BL XXX. Only 10 frames are available [3]. What is special about these data:
- streaks rather than "spots"
The XDS data processing is documented at Tough_Spots_ACA2014.
CagL
450 frames collected on an ADSC Q315 CCD detector at SSRL BL 11-1. What is special about these data: at the time, it was not clear what the space group was, and whether there was twinning.
The data frames are at https://wiki.uni-konstanz.de/pub/datasets/ACA2014_hard_spacegroup/
The XDS data processing is (not yet) documented at CagL_ACA2014. There was no twinning, and the space group was P6522. The resulting structure was deposited as 4X5U, and published in JBC.