7VLE

Oxy-deoxy intermediate of V2 hemoglobin at 55% oxygen saturation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2013-11-01
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 63
Unit cell lengths	109.644, 109.644, 195.496
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.870 - 2.300
R-factor	0.2027
Rwork	0.200
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wct
RMSD bond length	0.005
RMSD bond angle	0.747
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	2.440
High resolution limit [Å]	2.300	2.300
Number of reflections	58863
<I/σ(I)>	15.6	1.8
Completeness [%]	99.9	99.5
Redundancy	11.1	9.1
CC(1/2)	0.999	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	14-17% (w/v) PEG 3350, 100mM HEPES-NaOH pH 7.5