4HSL
2.00 angstrom x-ray crystal structure of substrate-bound E110A 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 | IMAGE PLATE |
| Collection date | 2012-02-24 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 58.461, 58.461, 232.190 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.190 - 2.000 |
| R-factor | 0.2256 |
| Rwork | 0.223 |
| R-free | 0.27530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yfy |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.894 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 14975 | |
| <I/σ(I)> | 58.72 | |
| Completeness [%] | 88.2 | 42.6 |
| Redundancy | 21.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | PEG 8000, 0.1 M Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
