4O92
Crystal structure of a Glutathione S-transferase from Pichia kudriavzevii (Issatchenkia orientalis), target EFI-501747
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 48.207, 48.207, 187.068 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.770 - 2.510 |
R-factor | 0.22636 |
Rwork | 0.225 |
R-free | 0.25807 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.520 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | AutoSol |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.127 | 0.570 |
Number of reflections | 8243 | |
<I/σ(I)> | 46.2 | 7.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 12.7 | 12.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 273 | 0.1 M Na2HPO4:Citric Acid, 2.0 M Ammonium Sulfate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K |