Quality Control: Difference between revisions

Quality Control (view source)

Revision as of 16:36, 9 February 2011

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Kay

Bureaucrats

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 There's currently data available for
-* PDB id [[1T92]] ([http://www.rcsb.org/pdb/explore.do?structureId=1T92 PulG], 2-wl MAD, spacegroup P6<sub>5</sub>22, resolution 2.8 Å)
+* 2-wl MAD: PDB id [[1T92]] ([http://www.rcsb.org/pdb/explore.do?structureId=1T92 PulG], 116 residues, 2 copies/ASU, spacegroup P6<sub>5</sub>22, resolution 2.8 Å)
-* PDB id [[1ZTV]] ([http://www.rcsb.org/pdb/explore.do?structureId=1ZTV JCSG target name TB1631F], 3-wl MAD, resolution 3.1 Å) - evaluated with Qingping Xu; it's on of the [http://www.jcsg.org JCSG] datasets.
+* 3-wl MAD: PDB id [[1ZTV]] ([http://www.rcsb.org/pdb/explore.do?structureId=1ZTV JCSG target name TB1631F], resolution 3.1 Å) - evaluated with Qingping Xu; it's one of the [http://www.jcsg.org JCSG] datasets.
-* PDB id [[2GIF]] ([http://www.rcsb.org/pdb/explore.do?structureId=2GIF AcrB], spacegroup C2, resolution 2.9 Å - a large membrane protein structure)
+* native data: PDB id [[2GIF]] ([http://www.rcsb.org/pdb/explore.do?structureId=2GIF AcrB], spacegroup C2, resolution 2.9 Å - a large membrane protein structure)
-* PDB id [[1YCE]]  ([http://www.rcsb.org/pdb/explore.do?structureId=1YCE ATPase C-ring], spacegroup P2<sub>1</sub>, resolution 2.4 Å - a large membrane protein structure, 44-fold NCS, strong diffuse scattering)
+* native data for MR: PDB id [[1YCE]]  ([http://www.rcsb.org/pdb/explore.do?structureId=1YCE ATPase C-ring], spacegroup P2<sub>1</sub>, resolution 2.4 Å - a large membrane protein structure, 44-fold NCS, strong diffuse scattering)
-* PDB id [[1RQW]] ([http://www.rcsb.org/pdb/explore.do?structureId=1RQW Thaumatin], a sweet-tasting protein of 207 resides, spacegroup P4<sub>1</sub>2<sub>1</sub>2, resolution 1.8 Å, collected at the DGK Workshop 2007; either as 2-wl MAD or treating either peak or inflection as SAD. These datasets have been made available by Manfred S. Weiss and Annette Faust (see [http://www.embl-hamburg.de/Xray_Tutorial/ Xray Tutorial]).
+* 2-wl Bromide MAD: PDB id [[1RQW]] ([http://www.rcsb.org/pdb/explore.do?structureId=1RQW Thaumatin], a sweet-tasting protein of 207 resides, spacegroup P4<sub>1</sub>2<sub>1</sub>2, resolution 1.8 Å, collected at the DGK Workshop 2007; could also treat either peak or inflection as SAD. These datasets have been made available by Manfred S. Weiss and Annette Faust (see [http://www.embl-hamburg.de/Xray_Tutorial/ Xray Tutorial]).
-* PDB id [[2QVO]] ([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° of Sulfur-SAD data collected at 1.9Å wavelength.
+* S-SAD: PDB id [[2QVO]] ([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.
-* another [ftp://turn5.biologie.uni-konstanz.de/pub/datasets/ lysozyme dataset] collected on the Pilatus detector. I suggest to use [[generate_XDS.INP]] to process these data.
+* 3-wl SeMet-MAD data PDB id [[3CSL]] ([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 [ftp://turn5.biologie.uni-konstanz.de/pub/datasets/]. 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.
-Additionally, new data is available from Manfred Weiss which belongs to an updated version of the DGK Workshop. XDS data reduction was performed for [[thau_1]], [[thau_2]], [[hel_native]], and [[hel_au]].
 Recently I've written [[SIM_MX]] which should make parts of testing and development of XDS independant from real data.