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 |