4O7H
Crystal structure of a glutathione S-transferase from Rhodospirillum rubrum F11, Target EFI-507460
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 | 2013-08-13 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.084, 48.965, 56.559 |
| Unit cell angles | 109.85, 106.96, 95.20 |
Refinement procedure
| Resolution | 49.950 - 1.600 |
| R-factor | 0.17713 |
| Rwork | 0.176 |
| R-free | 0.19790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mdc |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.551 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.074 | 0.404 |
| Number of reflections | 57020 | |
| <I/σ(I)> | 18.5 | 2.9 |
| Completeness [%] | 96.7 | 90.3 |
| Redundancy | 3.9 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 273 | 0.17 M Sodium Acetate, 0.085 M Tris:HCl, 25.5% (w/v) PEG 4000, 15% (v/v) Glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
