7QU4
Recombinant Human Fetal Hemoglobin mutant - alpha subunit mutations K11E,K56E,N78D,K90E
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 97.450, 189.200, 66.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.946 - 1.660 |
R-factor | 0.1839 |
Rwork | 0.182 |
R-free | 0.21940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bz1 1fdh |
RMSD bond length | 0.008 |
RMSD bond angle | 0.955 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.463 | 1.685 |
High resolution limit [Å] | 1.657 | 1.657 |
Rmerge | 0.067 | |
Number of reflections | 72637 | 3568 |
<I/σ(I)> | 21.2 | |
Completeness [%] | 98.9 | 98.3 |
Redundancy | 13.6 | |
CC(1/2) | 0.999 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 0.2 M Sodium fluoride, 0.1 M Bis-Tris propane pH 6.5, 20 % (w/v) PEG 3350 |