2RGZ
Ensemble refinement of the protein crystal structure of human heme oxygenase-2 C127A (HO-2) with bound heme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.977, 85.094, 97.846 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.020 - 2.610 |
Rwork | 0.161 |
R-free | 0.24900 |
Structure solution method | Multi-conformer re-refinement |
Starting model (for MR) | 2qpp |
RMSD bond length | 0.008 |
RMSD bond angle | 1.600 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS (1.1) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.413 | 42.413 | 2.400 |
High resolution limit [Å] | 2.320 | 5.000 | 2.320 |
Rmerge | 0.083 | 0.049 | 0.715 |
Number of reflections | 24030 | ||
<I/σ(I)> | 16.268 | 0.776 | |
Completeness [%] | 85.6 | 99.8 | 27.4 |
Redundancy | 11.6 | 13.5 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | Protein solution (5 mg/ml Protein, 1:1 ratio Heme, 2% DMSO, 0.050 M Potassium chloride, 0.050 M Tris-HCl pH 7.5) mixed in a 1.5:1 ratio with the Well solution (33% PEG DME 500, 0.020 M Magnesium chloride, 0.10 M HEPES pH 7.5). Cryoprotected with well solution, VAPOR DIFFUSION, HANGING DROP, temperature 277K |