6KAO
Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Dark
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2018-11-23 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.447, 53.447, 192.604 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.896 - 1.400 |
| R-factor | 0.1932 |
| Rwork | 0.192 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s66 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.076 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless (0.2.7) |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1839) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 18.900 | 18.900 | 1.450 |
| High resolution limit [Å] | 1.400 | 5.240 | 1.400 |
| Rmerge | 0.065 | 0.053 | 0.652 |
| Rmeas | 0.068 | 0.056 | 0.681 |
| Rpim | 0.020 | 0.017 | 0.196 |
| Total number of observations | 619071 | 12627 | 61965 |
| Number of reflections | 55917 | 1194 | 5594 |
| <I/σ(I)> | 19 | 40.3 | 3.4 |
| Completeness [%] | 99.5 | 96.5 | 97.4 |
| Redundancy | 11.1 | 10.6 | 11.1 |
| CC(1/2) | 0.999 | 0.997 | 0.906 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.2 | 293 | 0.528 M sodium dihydrogen phosphate, 1.122 M dipotassium hydrogen phosphate, 10%v/v glycerol |
