3HXS
Crystal Structure of Bacteroides fragilis TrxP
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 | 2007-07-18 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.99901 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 94.568, 94.568, 82.518 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.713 - 1.996 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2trx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.037 |
| Data scaling software | SCALA (3.2.17) |
| Phasing software | PHASER (1.3.3) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.870 | 2.100 |
| High resolution limit [Å] | 1.996 | 2.000 |
| Rmerge | 0.075 | 0.645 |
| Total number of observations | 50695 | |
| Number of reflections | 25931 | |
| <I/σ(I)> | 8.055 | 1.2 |
| Completeness [%] | 99.4 | 96.9 |
| Redundancy | 17.9 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 16%(w/v) PEG 6000, 0.01M ZnCl2, 0.1M MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
