4M2I
Crystal structure of non-heme iron oxygenase OrfP in complex with Fe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL12B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL12B2 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2012-12-13 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.507, 115.527, 95.288 |
| Unit cell angles | 90.00, 90.78, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.530 |
| R-factor | 0.20072 |
| Rwork | 0.197 |
| R-free | 0.26666 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m23 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.097 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.660 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Number of reflections | 37832 | |
| Completeness [%] | 99.9 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 100mM Bis Tris Propane, 200mM NaF, 20% PEG 3350, pH 7.5, VAPOR DIFFUSION, temperature 293K |
