6KAS
Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 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] | 95 |
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 | 60.963, 96.302, 99.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.718 - 1.650 |
R-factor | 0.1761 |
Rwork | 0.175 |
R-free | 0.20150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bbb |
RMSD bond length | 0.006 |
RMSD bond angle | 1.024 |
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] | 19.720 | 19.720 | 1.710 |
High resolution limit [Å] | 1.650 | 6.170 | 1.650 |
Rmerge | 0.089 | 0.070 | 0.500 |
Rmeas | 0.097 | 0.076 | 0.546 |
Rpim | 0.038 | 0.031 | 0.219 |
Total number of observations | 455501 | 8831 | 45254 |
Number of reflections | 71442 | 1462 | 7370 |
<I/σ(I)> | 13.1 | 23.7 | 3.4 |
Completeness [%] | 99.9 | 96.8 | 100 |
Redundancy | 6.4 | 6 | 6.1 |
CC(1/2) | 0.996 | 0.993 | 0.902 |
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 |