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 |
