3B6J
WrbA from Escherichia coli, NADH 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 | 2007-05-22 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.200, 94.200, 173.644 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.320 - 2.050 |
| R-factor | 0.16991 |
| Rwork | 0.168 |
| R-free | 0.19936 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b6i |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.046 |
| 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 | 2.150 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 48152 | |
| <I/σ(I)> | 5.9 | 1.9 |
| Completeness [%] | 96.9 | 93.7 |
| Redundancy | 4.1 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293 | 15-35 % PEG 1500, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
