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 |