5C6E
Joint X-ray/neutron structure of equine cyanomet hemoglobin in R state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-09-16 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.860, 63.160, 54.710 |
| Unit cell angles | 90.00, 110.75, 90.00 |
Refinement procedure
| Resolution | 21.580 - 2.000 |
| Rwork | 0.301 |
| R-free | 0.33400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | MOSFLM (LAUENORM) |
| Data scaling software | SCALA |
| Phasing software | CNS (nCNS 1.0.0) |
| Refinement software | nCNS (1.0.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.200 | 2.110 | 1.790 |
| High resolution limit [Å] | 1.700 | 2.000 | 1.700 |
| Rmerge | 0.064 | 0.356 | 0.287 |
| Number of reflections | 35839 | ||
| <I/σ(I)> | 12.9 | 1.4 | 3.9 |
| Completeness [%] | 94.6 | 67.9 | 91.1 |
| Redundancy | 3.8 | 1.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.2 | 290 | ammonium sulfate,HEPES |
| 1 | BATCH MODE | 7.2 | 290 | ammonium sulfate,HEPES |
