6BWU
Crystal structure of carboxyhemoglobin 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 | 2017-11-17 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.54057 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.300, 53.300, 191.966 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.812 - 2.000 |
| R-factor | 0.2018 |
| Rwork | 0.198 |
| R-free | 0.26510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ljw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.072 |
| 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] | 51.357 | 2.080 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.063 | 0.429 |
| Number of reflections | 19567 | 1961 |
| <I/σ(I)> | 31.66 | 3.19 |
| Completeness [%] | 99.1 | 98.5 |
| Redundancy | 9.4 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.6 | 293 | 3.2M Na/K Phosphate |
