6L5X
Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 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] | 95 |
| Detector technology | PIXEL |
| Collection date | 2018-11-23 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.030, 96.401, 100.026 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.735 - 1.650 |
| R-factor | 0.1753 |
| Rwork | 0.173 |
| R-free | 0.20730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bbb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.122 |
| 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] | 19.735 | 19.730 | 1.710 |
| High resolution limit [Å] | 1.650 | 6.170 | 1.650 |
| Rmerge | 0.093 | 0.071 | 0.564 |
| Rmeas | 0.102 | 0.078 | 0.616 |
| Rpim | 0.040 | 0.031 | 0.246 |
| Total number of observations | 8867 | 45514 | |
| Number of reflections | 71660 | 1467 | 7425 |
| <I/σ(I)> | 12.4 | 22.8 | 3 |
| Completeness [%] | 99.9 | 96.8 | 100 |
| Redundancy | 6.4 | 6 | 6.1 |
| CC(1/2) | 0.996 | 0.994 | 0.882 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.8 | 293 | 18%w/v PEG 6000, 100 mM sodium cacodylate-hydrochloride buffer, 10%v/v glycerol |
