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) |