9IUX

X-ray crystal structure of human hemoglobin subunit mu C49S/C104S mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-09
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9788
Spacegroup name	P 43 21 2
Unit cell lengths	40.630, 40.630, 167.429
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.850 - 1.530
R-factor	0.1742
Rwork	0.173
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.933
Data reduction software	autoPROC
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.860	1.550
High resolution limit [Å]	1.470	1.470
Rmerge	0.162	2.479
Rmeas	0.168	2.597
Rpim	0.043	0.749
Number of reflections	24796	3492
<I/σ(I)>	13	2.4
Completeness [%]	99.7	98.9
Redundancy	15.5
CC(1/2)	0.996	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	sodium acetate, sodium cacodylate, PEG8000