2E7E
Bent-binding of cyanide to the heme iron in rat heme oxygenase-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-14 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.750 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 65.400, 65.400, 121.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.850 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ix3 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.124 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.046 | 0.335 |
| Number of reflections | 25213 | |
| <I/σ(I)> | 15.6 | 5.5 |
| Completeness [%] | 97.4 | 98.3 |
| Redundancy | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 4M sodium formate, 5mM potassium cyanide, 50mM potassium phosphate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
