6L5W
Carbonmonoxy human hemoglobin C in the R 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 41 21 2 |
Unit cell lengths | 53.630, 53.630, 192.854 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.222 - 1.500 |
R-factor | 0.1939 |
Rwork | 0.193 |
R-free | 0.21470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s66 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.975 |
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] | 19.290 | 19.290 | 1.560 |
High resolution limit [Å] | 1.500 | 5.610 | 1.500 |
Rmerge | 0.057 | 0.039 | 0.725 |
Rmeas | 0.060 | 0.041 | 0.761 |
Rpim | 0.018 | 0.013 | 0.229 |
Total number of observations | 507356 | 10276 | 51760 |
Number of reflections | 46381 | 1037 | 4771 |
<I/σ(I)> | 20.6 | 50.2 | 2.8 |
Completeness [%] | 100.0 | 97.7 | 100 |
Redundancy | 10.9 | 9.9 | 10.8 |
CC(1/2) | 0.999 | 0.998 | 0.858 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7.2 | 293 | 0.528 M sodium dihydrogen phosphate, 1.122 M dipotassium hydrogen phosphate, 10%v/v glycerol |