4HVR
X-ray crystal structure of salicylic acid bound 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 58.561, 58.561, 230.990 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.000 - 2.700 |
| R-factor | 0.2205 |
| Rwork | 0.215 |
| R-free | 0.33370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.554 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.700 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 8611 | |
| Completeness [%] | 69.7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | PEG 8000, 0.1M Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
