6KAV
Carbonmonoxy human hemoglobin A in the R2 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 21 21 21 |
| Unit cell lengths | 61.146, 96.527, 100.224 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.769 - 1.700 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.20470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bbb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.986 |
| 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] | 19.770 | 19.770 | 1.760 |
| High resolution limit [Å] | 1.700 | 6.360 | 1.700 |
| Rmerge | 0.084 | 0.054 | 0.752 |
| Rmeas | 0.091 | 0.059 | 0.814 |
| Rpim | 0.035 | 0.022 | 0.310 |
| Total number of observations | 421591 | 8106 | 44473 |
| Number of reflections | 64590 | 1227 | 6631 |
| <I/σ(I)> | 13.8 | 29.4 | 2.9 |
| Completeness [%] | 98.2 | 88.6 | 97.6 |
| Redundancy | 6.5 | 6.6 | 6.7 |
| CC(1/2) | 0.998 | 0.998 | 0.819 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.8 | 293 | 18%w/v PEG6000, 100 mM sodium cacodylate-hydrochloride buffer, 10%v/v glycerol |
