3LG6
Crystal structure of putative glutathione transferase from Coccidioides immitis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-12 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.740, 99.640, 184.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cz2 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.463 |
| 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] | 30.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.121 | 0.529 |
| Number of reflections | 49300 | |
| <I/σ(I)> | 13.23 | 4.8 |
| Completeness [%] | 99.7 | 97.9 |
| Redundancy | 6.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | CSHT screen condition B5, 0.2 M lithium sulfate, 0.1 M Tris pH 8.5, 30% PEG 4000 with 25% ethylene glycol as cryo-protectant, crystal tracking ID 206458b5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
