2,652
edits
Quality Control: Difference between revisions
Jump to navigation
Jump to search
→ACA2014: add link to M.J. Whitley's tutorial
No edit summary |
(→ACA2014: add link to M.J. Whitley's tutorial) |
||
| (One intermediate revision by one other user not shown) | |||
| Line 20: | Line 20: | ||
* [[simulated-1g1c]]: James Holton's simulated (using his MLFSOM program) data of PDB id [http://www.rcsb.org/pdb/explore/explore.do?structureId=1G1C 1g1c] - 100 synthetic datasets (15 frames each) strongly affected by radiation damage. These 100 datasets were simulated in random orientations and with random (?) "crystal" sizes. The processing and scaling can be considered non-standard, and challenging. | * [[simulated-1g1c]]: James Holton's simulated (using his MLFSOM program) data of PDB id [http://www.rcsb.org/pdb/explore/explore.do?structureId=1G1C 1g1c] - 100 synthetic datasets (15 frames each) strongly affected by radiation damage. These 100 datasets were simulated in random orientations and with random (?) "crystal" sizes. The processing and scaling can be considered non-standard, and challenging. | ||
* [[2QVO]]: S-SAD: PDB id [http://www.rcsb.org/pdb/explore.do?structureId=2QVO AF1382], a 95-residue protein used by James Tucker Swindell II to establish optimized procedures for data reduction. The data available to solve the structure are two runs of 360° collected at 1.9Å wavelength. Datasets are at [https://{{SERVERNAME}}/pub/xds-datared/2qvo/]. | * [[2QVO]]: S-SAD: PDB id [http://www.rcsb.org/pdb/explore.do?structureId=2QVO AF1382], a 95-residue protein used by James Tucker Swindell II to establish optimized procedures for data reduction. The data available to solve the structure are two runs of 360° collected at 1.9Å wavelength. Datasets are at [https://{{SERVERNAME}}/pub/xds-datared/2qvo/]. | ||
* [[3CSL]]: 3-wl SeMet-MAD data PDB id [http://www.pdb.org/pdb/explore/explore.do?structureId=3CSL 3CSL], a complex of a 22 stranded beta-barrel outer membrane protein (the ordered residues 112-865 harbour 9 SeMet), its 173-residue hemophore (1 SeMet), and heme. Datasets are at [ | * [[3CSL]]: 3-wl SeMet-MAD data PDB id [http://www.pdb.org/pdb/explore/explore.do?structureId=3CSL 3CSL], a complex of a 22 stranded beta-barrel outer membrane protein (the ordered residues 112-865 harbour 9 SeMet), its 173-residue hemophore (1 SeMet), and heme. Datasets are at [https://{{SERVERNAME}}/pub/xds-datared/3csl]. 2 complexes per ASU, useful data to 3.2Å, useful anomalous data to about 5Å. Challenging for humans, and too difficult for automatic methods of structure solution and model building. | ||
* [[1Y13]]: SAD with a twist that requires some detective work. | * [[1Y13]]: SAD with a twist that requires some detective work. | ||
| Line 26: | Line 26: | ||
Data from several projects were processed by experts at the "Data processing with the pros" session of the [[ACA2014]] in Albuquerque, New Mexico (USA) at the end of May 2014. [http://bl831.als.lbl.gov/example_data_sets/ACA2011/DPWTPreloaded/index.html This website] has detailed descriptions and links. | Data from several projects were processed by experts at the "Data processing with the pros" session of the [[ACA2014]] in Albuquerque, New Mexico (USA) at the end of May 2014. [http://bl831.als.lbl.gov/example_data_sets/ACA2011/DPWTPreloaded/index.html This website] has detailed descriptions and links. | ||
== CSHL2018 == | |||
[https://{{SERVERNAME}}/pub/MWhitley_CSHL-2018_XDS-Tutorial.pdf Matthew J. Whitley's excellent tutorial] about XDS processing with [[XDSGUI]], from the 2018 Cold Spring Harbor X-Ray Methods in Structural Biology Course. This has links to data sets. | |||
== Simulated data == | == Simulated data == | ||
I wrote [[SIM_MX]] which makes testing and development of XDS independant from real data. | I wrote [[SIM_MX]] which makes testing and development of XDS independant from real data. | ||