2AUQ
HbI (F97V) CO bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-06-02 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.110, 43.880, 83.500 |
| Unit cell angles | 90.00, 121.89, 90.00 |
Refinement procedure
| Resolution | 22.590 - 1.800 |
| R-factor | 0.182 |
| Rwork | 0.182 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sdh |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.600 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.063 | 0.158 |
| Number of reflections | 22915 | |
| <I/σ(I)> | 12.6 | 4.9 |
| Completeness [%] | 85.5 | 68.6 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 7.5 | 298 | Phosphate, pH 7.5, SMALL TUBES, temperature 298K |
