3CZY
Crystal Structure of Human Heme Oxygenase-1 in Complex with 1-(Adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone
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 | 2007-06-20 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.000, 52.446, 74.488 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.540 |
| R-factor | 0.19544 |
| Rwork | 0.194 |
| R-free | 0.22633 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n3u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.217 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.600 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.086 | 0.356 |
| Number of reflections | 55840 | |
| <I/σ(I)> | 36.5 | 4.4 |
| Completeness [%] | 97.1 | 82.8 |
| Redundancy | 6.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 2.16M ammonium sulfate, 0.9% 1,6-hexanediol, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
