2R96
Crystal structure of E. coli WrbA in complex with FMN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8100 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.350, 94.350, 175.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.280 - 2.600 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zwl |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.808 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.140 | 0.620 |
| Number of reflections | 24986 | |
| <I/σ(I)> | 12.35 | 2.64 |
| Completeness [%] | 98.9 | 98.1 |
| Redundancy | 7.2 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 285 | 25% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 285K, pH 7.5 |
