2R97
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) | 0.81 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 61.130, 61.130, 168.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.670 - 2.000 |
| R-factor | 0.197 |
| Rwork | 0.193 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 2R96 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.640 |
| 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 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.090 | 0.510 |
| Number of reflections | 20763 | |
| <I/σ(I)> | 16.94 | 3.42 |
| Completeness [%] | 90.8 | 84.1 |
| Redundancy | 6.9 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 285 | 20% PEG 8000, 0.1 M Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 285K |
