6L5Y
Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 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] | 140 |
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 | 61.163, 96.526, 100.308 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.779 - 1.650 |
R-factor | 0.1766 |
Rwork | 0.175 |
R-free | 0.20630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bbb |
RMSD bond length | 0.006 |
RMSD bond angle | 0.996 |
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] | 19.780 | 19.780 | 1.710 |
High resolution limit [Å] | 1.650 | 6.170 | 1.650 |
Rmerge | 0.085 | 0.055 | 0.697 |
Rmeas | 0.092 | 0.060 | 0.754 |
Rpim | 0.036 | 0.024 | 0.285 |
Total number of observations | 459398 | 8210 | 48559 |
Number of reflections | 70593 | 1359 | 7236 |
<I/σ(I)> | 13.4 | 26.7 | 2.9 |
Completeness [%] | 98.1 | 89.5 | 97 |
Redundancy | 6.5 | 6 | 6.7 |
CC(1/2) | 0.997 | 0.996 | 0.868 |
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 |