4ID0
Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione sulfinic acid (gso2h) and acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-08 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.542, 69.741, 80.182 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.015 - 1.100 |
| R-factor | 0.159 |
| Rwork | 0.158 |
| R-free | 0.17180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tou |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.656 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.300 | 1.160 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.096 | 0.052 |
| Number of reflections | 1904924 | |
| <I/σ(I)> | 3.6 | |
| Completeness [%] | 91.5 | 57 |
| Redundancy | 13.4 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | Protein (10 mM Hepes pH 7.5, 100 mM NaCl + 5 mM Reduced glutathione); Reservoir (200 mM AmAcetate, 100 mM Na3Citrate pH 5.6, 25% Peg4000, 15% glycerol); Cryoprotection (90% reservoir, 10% glycerol), vapor diffusion, sitting drop, temperature 298K |
