3H1N
Crystal structure of probable glutathione S-transferase from Bordetella bronchiseptica RB50
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.949, 87.115, 91.372 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.460 - 1.830 |
| R-factor | 0.18591 |
| Rwork | 0.184 |
| R-free | 0.22336 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.145 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.460 | 1.860 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.112 | 0.722 |
| Number of reflections | 45902 | |
| <I/σ(I)> | 26.7 | 2.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.9 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M HEPES, 0.2M MgCl2, 25% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
