4IW9
Crystal structure of glutathione s-transferase mha_0454 (target efi-507015) from mannheimia haemolytica, gsh complex
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 | 2012-11-08 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 65.942, 81.524, 287.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.790 - 1.760 |
| R-factor | 0.15569 |
| Rwork | 0.154 |
| R-free | 0.20209 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4iq1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.152 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.930 | |
| Number of reflections | 76059 | |
| <I/σ(I)> | 8.5 | 2.2 |
| Completeness [%] | 98.3 | 98.3 |
| Redundancy | 10.8 | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.17M AMMONUM ACETATE, 0.085M SODIUM ACETATE:HCL, PH 4.6, 25.5% PEG4000, 15% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
