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 |
