3PPU
Crystal structure of the glutathione-S-transferase Xi from Phanerochaete chrysosporium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.980547 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 166.823, 70.331, 72.566 |
Unit cell angles | 90.00, 98.79, 90.00 |
Refinement procedure
Resolution | 46.660 - 2.300 |
R-factor | 0.19245 |
Rwork | 0.191 |
R-free | 0.22750 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.246 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.660 | 2.430 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.037 | 0.188 |
Number of reflections | 36622 | |
<I/σ(I)> | 19.8 | 4.8 |
Completeness [%] | 98.9 | 96 |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.5 | 277 | 20 to 30 % polyethylene glycol 4000 (PEG 4000), 0 to 0.2 M magnesium or calcium chloride and 0.1 M Tris-HCl, pH 8.5, Microbatch, temperature 277K |