6LCW
Crosslinked alpha(Ni)-beta(Ni) human hemoglobin A in the T 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 | 2019-10-30 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.771, 94.419, 100.430 |
| Unit cell angles | 90.00, 102.06, 90.00 |
Refinement procedure
| Resolution | 19.809 - 1.400 |
| R-factor | 0.1974 |
| Rwork | 0.196 |
| R-free | 0.21840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ka9 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.939 |
| 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] | 19.810 | 19.810 | 1.450 |
| High resolution limit [Å] | 1.400 | 5.240 | 1.400 |
| Rmerge | 0.129 | 0.121 | 0.304 |
| Rmeas | 0.145 | 0.135 | 0.339 |
| Rpim | 0.064 | 0.059 | 0.150 |
| Total number of observations | 1068262 | 21547 | 114072 |
| Number of reflections | 227495 | 4251 | 23533 |
| <I/σ(I)> | 8.4 | 12.1 | 4.7 |
| Completeness [%] | 98.1 | 93.3 | 96.8 |
| Redundancy | 4.7 | 5.1 | 4.8 |
| CC(1/2) | 0.985 | 0.976 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.6 | 293 | 1.0% (w/v) protein solution that contains 18% (w/v) PEG3350, 0.15 M dipotassium sulfate, 50 mM citrate-ammonium buffer (pH 6.6) |
