6KAP
Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 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] | 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 | 53.526, 53.526, 192.768 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.920 - 1.450 |
| R-factor | 0.1938 |
| Rwork | 0.193 |
| R-free | 0.21080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s66 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.014 |
| 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] | 18.920 | 18.920 | 1.500 |
| High resolution limit [Å] | 1.450 | 5.430 | 1.450 |
| Rmerge | 0.066 | 0.053 | 0.788 |
| Rmeas | 0.070 | 0.056 | 0.823 |
| Rpim | 0.021 | 0.017 | 0.237 |
| Total number of observations | 562321 | 11278 | 58055 |
| Number of reflections | 50776 | 1072 | 5163 |
| <I/σ(I)> | 18 | 40 | 2.9 |
| Completeness [%] | 99.8 | 96.1 | 99.3 |
| Redundancy | 11.1 | 10.5 | 11.2 |
| CC(1/2) | 0.999 | 0.998 | 0.882 |
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 |
