3M8N
Crystal structure of a possible gutathione S-tranferase from Rhodopseudomonas palustris
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 | 2010-02-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.972, 105.088, 152.128 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.670 - 2.040 |
R-factor | 0.2014 |
Rwork | 0.199 |
R-free | 0.25935 |
Structure solution method | SAD |
RMSD bond length | 0.023 |
RMSD bond angle | 1.964 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE (& Resolve) |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.700 | 2.110 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.080 | 0.650 |
Number of reflections | 53728 | |
<I/σ(I)> | 11.6 | 1.5 |
Completeness [%] | 91.7 | 75.9 |
Redundancy | 12.6 | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M HEPES pH 7.5, 2.0M Ammonium Sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |