1S13
Human Heme Oxygenase Oxidatition of alpha- and gamma-meso-Phenylhemes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 119 |
Detector technology | IMAGE PLATE |
Collection date | 2003-11-18 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.070, 75.750, 107.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.290 |
Rwork | 0.210 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qq8 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.370 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmerge | 0.066 | 0.038 |
Number of reflections | 20818 | |
<I/σ(I)> | 21.1 | 2.12 |
Completeness [%] | 99.9 | 95 |
Redundancy | 9.9 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 301 | ammonium sulphate, HEPES, hexanediol, jeffamine ED600, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 301K |