3I8R
Crystal structure of the heme oxygenase from Corynebacterium diphtheriae (HmuO) in complex with heme binding ditiothreitol (DTT)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2004-05-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.117, 62.563, 108.002 |
| Unit cell angles | 90.00, 100.67, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.500 |
| R-factor | 0.19698 |
| Rwork | 0.194 |
| R-free | 0.22351 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iw0 |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.519 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 111073 | |
| <I/σ(I)> | 45.5 | 2.62 |
| Completeness [%] | 98.0 | 90.1 |
| Redundancy | 7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 303 | 2.2M (NH4)2SO4, 50mM MES (pH6.1), 0.1% Dioxane, 0.25M Sodium Iodide with 50mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 303K |
