4NE0
Crystal structure of non-heme iron oxygenase OrfP D157A mutant in complex with (3S)-hydroxy-L-Arg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A |
| Synchrotron site | NSRRC |
| Beamline | BL15A |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2013-10-26 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.861, 117.330, 95.815 |
| Unit cell angles | 90.00, 91.33, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.170 |
| R-factor | 0.21306 |
| Rwork | 0.210 |
| R-free | 0.26855 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m23 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.863 |
| 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] | 30.000 | 2.260 |
| High resolution limit [Å] | 2.170 | 2.180 |
| Number of reflections | 76451 | |
| Completeness [%] | 97.2 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG 3350, 0.2M NaF, 0.1M Bis-Tris propane, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
