4HZ2
Crystal structure of glutathione s-transferase xaut_3756 (target efi-507152) from xanthobacter autotrophicus py2
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 | 2012-10-11 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 96.886, 132.694, 43.229 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.510 - 1.500 |
| R-factor | 0.13989 |
| Rwork | 0.138 |
| R-free | 0.19940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3m3m |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.269 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.930 | |
| Number of reflections | 93903 | |
| <I/σ(I)> | 6.8 | 1 |
| Completeness [%] | 96.5 | 94.2 |
| Redundancy | 3.9 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.2M MAGNESIUM CHLORIDE, 1.2M SODIUM CITRATE TRIBASIC , pH 8.5 |
