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 |