2WBQ
Crystal structure of VioC in complex with (2S,3S)-hydroxyarginine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-04 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 80.910, 66.830, 62.730 |
Unit cell angles | 90.00, 109.17, 90.00 |
Refinement procedure
Resolution | 19.750 - 1.100 |
R-factor | 0.144 |
Rwork | 0.143 |
R-free | 0.17800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2og5 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.449 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.130 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.040 | 0.570 |
Number of reflections | 123576 | |
<I/σ(I)> | 14.1 | 1.5 |
Completeness [%] | 96.8 | 84.9 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.6 M TRI-SODIUM CITRATE 0.1 M HEPES PH 7.5 3 MM (2S,3S)-HYDROXYARGININE |