3B6K
WrbA from Escherichia coli, Benzoquinone complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-05-25 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54180 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.239, 94.239, 175.554 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.700 - 1.990 |
| R-factor | 0.17367 |
| Rwork | 0.172 |
| R-free | 0.20783 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b6i |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.686 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 59061 | |
| <I/σ(I)> | 6.2 | 1.8 |
| Completeness [%] | 99.5 | 97.3 |
| Redundancy | 5.9 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293 | 15-35 % Polyethylene Glycol, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
