9JYU

Structural analysis of yak hemoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-10-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	63.485, 77.295, 108.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.150 - 1.480
R-factor	0.2421
Rwork	0.240
R-free	0.28160
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.144
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.970	1.560
High resolution limit [Å]	1.480	1.480
Rmerge	0.073	0.513
Number of reflections	89231	12877
<I/σ(I)>	15	2.8
Completeness [%]	100.0
Redundancy	8.5	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.2 M NaCl, 0.1 M Bis-tris, 25% PEG 3350, pH 5.5