3K4F
X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-24 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.91790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.205, 52.483, 73.977 |
| Unit cell angles | 90.00, 90.21, 90.00 |
Refinement procedure
| Resolution | 42.800 - 2.170 |
| R-factor | 0.22525 |
| Rwork | 0.222 |
| R-free | 0.27974 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3czy |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.897 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.082 | 0.199 |
| Number of reflections | 20639 | |
| <I/σ(I)> | 25.678 | 8.758 |
| Completeness [%] | 98.0 | 97.8 |
| Redundancy | 3.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 100 mM HEPES (pH 7.5), 2.00-2.28 M ammonium sulfate and 0.8-1.1% 1,6-hexanediol, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
