3HYP
Crystal structure of Bacteroides fragilis TrxP_S105G mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-26 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.95364 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 94.506, 94.506, 82.539 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.885 - 2.899 |
R-factor | 0.2 |
Rwork | 0.197 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hxs |
RMSD bond length | 0.007 |
RMSD bond angle | 0.928 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.1) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.000 |
High resolution limit [Å] | 2.899 | 2.900 |
Rmerge | 0.117 | 0.791 |
Number of reflections | 8745 | |
<I/σ(I)> | 30.583 | 4.2 |
Completeness [%] | 99.7 | 100 |
Redundancy | 20.7 | 21.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 15%(w/v) PEG 6000, 0.01M ZnCl2, 0.1M MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |