6KAQ
Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 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] | 140 |
| 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 | 53.583, 53.583, 192.812 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.210 - 1.500 |
| R-factor | 0.1937 |
| Rwork | 0.192 |
| R-free | 0.21990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s66 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.083 |
| 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] | 19.280 | 19.280 | 1.560 |
| High resolution limit [Å] | 1.500 | 5.610 | 1.500 |
| Rmerge | 0.057 | 0.042 | 0.493 |
| Rmeas | 0.060 | 0.045 | 0.518 |
| Rpim | 0.018 | 0.015 | 0.156 |
| Total number of observations | 503357 | 9776 | 51556 |
| Number of reflections | 46289 | 1034 | 4750 |
| <I/σ(I)> | 21.3 | 46.3 | 3.7 |
| Completeness [%] | 100.0 | 97.7 | 100 |
| Redundancy | 10.9 | 9.5 | 10.9 |
| CC(1/2) | 0.999 | 0.997 | 0.924 |
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 |
