6KAU
Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Dark
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 | 61.124, 96.436, 100.263 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.767 - 1.600 |
R-factor | 0.1794 |
Rwork | 0.178 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bbb |
RMSD bond length | 0.006 |
RMSD bond angle | 1.002 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless (0.2.7) |
Phasing software | PDBSET |
Refinement software | PHENIX (dev_1839) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.770 | 19.770 | 1.660 |
High resolution limit [Å] | 1.600 | 5.990 | 1.600 |
Rmerge | 0.081 | 0.056 | 0.622 |
Rmeas | 0.089 | 0.062 | 0.672 |
Rpim | 0.034 | 0.025 | 0.253 |
Total number of observations | 501521 | 8950 | 51880 |
Number of reflections | 76895 | 1489 | 7712 |
<I/σ(I)> | 14.1 | 27.8 | 3.2 |
Completeness [%] | 97.7 | 89.9 | 94.3 |
Redundancy | 6.5 | 6 | 6.7 |
CC(1/2) | 0.997 | 0.994 | 0.894 |
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 |