5E29
Crystal Structure of Deoxygenated Hemoglobin in Complex with an Allosteric Effector and Nitric Oxide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-04-22 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 95.878, 98.419, 65.444 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.540 - 1.850 |
| R-factor | 0.205 |
| Rwork | 0.198 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dn2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.2SSI) |
| Phasing software | PHENIX |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.540 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.084 | 0.313 |
| Number of reflections | 52628 | |
| <I/σ(I)> | 12.3 | 4.5 |
| Completeness [%] | 98.2 | 94.3 |
| Redundancy | 5.53 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6.5 | 295 | 0.2 M sodium acetate trihydrate, 0.1 M sodium cacodylate trihydrate, pH 6.5, 30% w/v PEG8000, anaerobic conditions |
