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 |