3N5O
Crystal structure of putative glutathione transferase from Coccidioides immitis bound to glutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-19 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 49.610, 110.930, 168.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.850 |
| R-factor | 0.16 |
| Rwork | 0.158 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lg6 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.377 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.072 | 0.359 |
| Number of reflections | 39710 | 2590 |
| <I/σ(I)> | 17.78 | 2.3 |
| Completeness [%] | 98.8 | 88.5 |
| Redundancy | 5.5 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 23.9 mg/mL protein, 0.2 M ammonium sulfate, 30% PEG 8000, 25% ethylene glycol as cryo-protectant, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
