6BWP
Crystal structure of Deoxy Hemoglobin in complex with beta Cys93 modifying agent, TD3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-03 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.54057 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.675, 82.225, 53.519 |
| Unit cell angles | 90.00, 99.60, 90.00 |
Refinement procedure
| Resolution | 12.797 - 1.700 |
| R-factor | 0.1603 |
| Rwork | 0.158 |
| R-free | 0.19740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dn2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.251 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.797 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.084 | 0.297 |
| Number of reflections | 57586 | 5764 |
| <I/σ(I)> | 21.22 | 5.88 |
| Completeness [%] | 97.8 | 94.1 |
| Redundancy | 8.1 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.6 | 293 | 3.4M Na Phosphate/NH4 Sulfate |
