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