4IQ1
Crystal structure of glutathione s-transferase MHA_0454 (TARGET EFI-507015) FROM Mannheimia haemolytica, SUBSTRATE-FREE
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 | 2012-12-08 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 66.019, 81.776, 288.652 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.660 - 1.850 |
| R-factor | 0.17627 |
| Rwork | 0.174 |
| R-free | 0.24701 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x64 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.333 |
| 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 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.860 | |
| Number of reflections | 61400 | |
| <I/σ(I)> | 7.9 | 2.4 |
| Completeness [%] | 91.3 | 93.2 |
| Redundancy | 6.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M BIS-TRIS, PH 5.5, 0.2M LITHIUM SULFATE, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
