4PTS
Crystal structure of a glutathione transferase from Gordonia bronchialis DSM 43247, target EFI-507405
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 | 2014-02-08 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.870, 75.475, 193.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 96.860 - 2.830 |
| R-factor | 0.20234 |
| Rwork | 0.200 |
| R-free | 0.24764 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3m1g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.470 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 193.710 | 2.990 |
| High resolution limit [Å] | 2.830 | 2.830 |
| Rmerge | 0.160 | 0.498 |
| Number of reflections | 19193 | |
| <I/σ(I)> | 12.3 | 4.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 273 | 0.1 M sodium acetate/acetic acid, pH 4.5, 0.8 M sodium phosphate monobasic, 1.2 M potassium phosphate dibasic, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
