1NXF
Ligand-linked transitions of deoxyHbI crystals exposed to CO.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 296 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-07-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.040, 44.280, 144.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.900 - 1.850 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4sdh |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.084 | 0.321 |
| Number of reflections | 24623 | |
| <I/σ(I)> | 12 | |
| Completeness [%] | 95.2 | 87.8 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 8.5 | 296 | Sodium and Postasium phosphate, pH 8.5, SMALL TUBES, temperature 296K |
