6L5W
Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Light (2 min)
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 S 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.630, 53.630, 192.854 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.222 - 1.500 |
| R-factor | 0.1939 |
| Rwork | 0.193 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s66 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.975 |
| 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] | 19.290 | 19.290 | 1.560 |
| High resolution limit [Å] | 1.500 | 5.610 | 1.500 |
| Rmerge | 0.057 | 0.039 | 0.725 |
| Rmeas | 0.060 | 0.041 | 0.761 |
| Rpim | 0.018 | 0.013 | 0.229 |
| Total number of observations | 507356 | 10276 | 51760 |
| Number of reflections | 46381 | 1037 | 4771 |
| <I/σ(I)> | 20.6 | 50.2 | 2.8 |
| Completeness [%] | 100.0 | 97.7 | 100 |
| Redundancy | 10.9 | 9.9 | 10.8 |
| CC(1/2) | 0.999 | 0.998 | 0.858 |
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 |
