7E99

Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 13% oxygen saturation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2017-02-26
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.100
Spacegroup name	H 3 2
Unit cell lengths	110.925, 110.925, 271.047
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.300 - 2.100
R-factor	0.1831
Rwork	0.181
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zfo
RMSD bond length	0.003
RMSD bond angle	0.706
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.100	2.100
Number of reflections	37707	5957
<I/σ(I)>	11	1.7
Completeness [%]	99.8
Redundancy	10.1
CC(1/2)	0.997	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	11-12 % (w/v) polyethylene glycol (PEG) 10,000, 10 mM CaCl2, 200 mM Tris-HCl pH 8.0