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 |