6BNR
Carbonmonoxy hemoglobin in complex with the antisickling agent 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde (INN310)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-08-18 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5419 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.817, 83.550, 104.915 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.400 - 1.950 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r5i |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.600 |
| Data reduction software | CrystalClear (2.0) |
| Data scaling software | d*TREK (2.0) |
| Phasing software | PHENIX |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.400 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.058 | 0.467 |
| Rmeas | 0.066 | 0.542 |
| Number of reflections | 40595 | |
| <I/σ(I)> | 11.8 | 2.3 |
| Completeness [%] | 99.1 | 99.3 |
| Redundancy | 3.97 | 3.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.4 | 298 | 25% PEG 6000, 0.1M HEPES (pH 7.4) |
