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 |
