7UD8
Crystal structure of carbon monoxy Hemoglobin in complex with 5HMF at 1.8 Angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-15 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 92.234, 92.234, 144.065 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.386 - 1.800 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ic0 |
| Data reduction software | CrysalisPro (41.64.69a) |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.390 | 28.390 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.062 | 0.020 | 0.796 |
| Rmeas | 0.065 | 0.021 | 0.882 |
| Rpim | 0.020 | 0.006 | 0.371 |
| Total number of observations | 716379 | 6386 | 20836 |
| Number of reflections | 66309 | 596 | 3896 |
| <I/σ(I)> | 28.8 | 105.9 | 2 |
| Completeness [%] | 100.0 | 97.1 | 99.7 |
| Redundancy | 10.8 | 10.7 | 5.3 |
| CC(1/2) | 1.000 | 1.000 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 3.2-3.6M Sulfate/phosphate precipitant, pH 6.5, ferrous citrate |
