3FHL
Crystal structure of a putative oxidoreductase from bacteroides fragilis nctc 9343
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-06 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 196.258, 127.367, 79.889 |
| Unit cell angles | 90.00, 112.01, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.930 |
| R-factor | 0.1869 |
| Rwork | 0.186 |
| R-free | 0.21503 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.216 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.990 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.620 | |
| Number of reflections | 138748 | |
| <I/σ(I)> | 6.7 | 1.1 |
| Completeness [%] | 99.4 | 95.2 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.1M SODIUM CACODYLATE, PH 6.5, 20% PEG8000, 0.2M MAGNESIUM ACETATE, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
