3TGM
X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 1-(1H-imidazol-1-yl)-4,4-diphenyl-2 butanone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-04 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.979300 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.610, 74.980, 115.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.820 - 2.850 |
R-factor | 0.22516 |
Rwork | 0.223 |
R-free | 0.26377 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1N3U Chain A |
RMSD bond length | 0.006 |
RMSD bond angle | 0.910 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 19.820 | 2.800 |
High resolution limit [Å] | 2.750 | 10.000 | 2.750 |
Rmerge | 0.099 | 0.027 | 0.972 |
Number of reflections | 11070 | ||
<I/σ(I)> | 9.26 | 24.8 | 1.4 |
Completeness [%] | 96.1 | 82.4 | 97.2 |
Redundancy | 2.63 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 100 mM HEPES (pH 7.5), 2.2 M ammonium sulfate, 0.95% 1,6-hexanediol, VAPOR DIFFUSION, SITTING DROP, temperature 295K |