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 |
