6KAR
Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Light
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 | 53.645, 53.645, 192.708 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.221 - 1.600 |
| R-factor | 0.1925 |
| Rwork | 0.191 |
| R-free | 0.22570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s66 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.071 |
| 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] | 19.270 | 19.270 | 1.660 |
| High resolution limit [Å] | 1.600 | 5.990 | 1.600 |
| Rmerge | 0.055 | 0.038 | 0.614 |
| Rmeas | 0.057 | 0.040 | 0.643 |
| Rpim | 0.017 | 0.013 | 0.190 |
| Total number of observations | 420827 | 8217 | 44340 |
| Number of reflections | 38384 | 851 | 3926 |
| <I/σ(I)> | 22.5 | 50.7 | 3.6 |
| Completeness [%] | 99.9 | 97.2 | 100 |
| Redundancy | 11 | 9.7 | 11.3 |
| CC(1/2) | 0.999 | 0.998 | 0.914 |
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 |
