3UKI
Crystal structure of reduced OxyR from Porphyromonas gingivalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-01-28 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.236, 82.814, 170.484 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.647 - 4.150 |
| R-factor | 0.3186 |
| Rwork | 0.309 |
| R-free | 0.40500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ho7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.329 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.948 | 3.630 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.289 | 0.676 |
| Number of reflections | 10378 | |
| <I/σ(I)> | 2.4 | 0.8 |
| Completeness [%] | 87.8 | 87.85 |
| Redundancy | 2.91 | 2.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.2M LiSO4, 20% PEG3350, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
