4I3P
1.96 angstrom x-ray crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase bound with 3-aminosalicylic acid 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 | IMAGE PLATE |
| Collection date | 2012-11-11 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 58.823, 58.823, 231.257 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.243 - 1.961 |
| R-factor | 0.236 |
| Rwork | 0.234 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yfu |
| RMSD bond length | 0.008 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 16434 | |
| Completeness [%] | 91.4 | 71.3 |
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 |
