9H5D

Crystal structure of sheep (Ovis aries) oxyhemoglobin at 2.1 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS 3.0 MICROFOCUS
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-06
Detector	Bruker PHOTON III
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	60.148, 70.730, 128.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.850 - 2.080
R-factor	0.1993
Rwork	0.197
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.644
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.850	2.140
High resolution limit [Å]	2.080	2.080
Rmerge	0.132	0.573
Rmeas	0.169
Rpim	0.103	0.505
Number of reflections	32149	1206
<I/σ(I)>	6.6	1.6
Completeness [%]	95.7	46.5
Redundancy	3.6	2.5
CC(1/2)	0.981	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	20% PEG 3350 in 0.2 M potassium iodide buffer at pH 7.0, temperature 293K,