2WBP
Crystal structure of VioC in complex with Fe(II), (2S,3S)- hydroxyarginine, and succinate
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 | 80.770, 66.930, 62.900 |
Unit cell angles | 90.00, 109.16, 90.00 |
Refinement procedure
Resolution | 19.960 - 1.160 |
R-factor | 0.13293 |
Rwork | 0.132 |
R-free | 0.17099 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2og5 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.355 |
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 | 1.190 |
High resolution limit [Å] | 1.160 | 1.160 |
Rmerge | 0.060 | 0.250 |
Number of reflections | 99570 | |
<I/σ(I)> | 10.6 | 2.1 |
Completeness [%] | 91.3 | 51.1 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 1.0 M NA-SUCCINATE, 0.1 M TRIS/HCL PH 8.0, 3 MM (2S\,3S)-HYDROXYARGININE |