3B6I
WrbA from Escherichia coli, native structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-15 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 94.361, 94.361, 175.363 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.410 - 1.660 |
R-factor | 0.16988 |
Rwork | 0.169 |
R-free | 0.18573 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ydg |
RMSD bond length | 0.012 |
RMSD bond angle | 1.328 |
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 | 1.690 |
High resolution limit [Å] | 1.660 | 1.660 |
Number of reflections | 91774 | |
<I/σ(I)> | 12.1 | 2.2 |
Completeness [%] | 98.7 | 97.3 |
Redundancy | 6.3 | 5.3 |
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 |