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 |