8FDM

Human Hemoglobin in Complex with Nitrosomethane

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-09
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.5418
Spacegroup name	P 41
Unit cell lengths	53.458, 53.458, 191.375
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.670 - 1.910
R-factor	0.1989
Rwork	0.196
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p5q
RMSD bond length	0.008
RMSD bond angle	0.964
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.670	1.980
High resolution limit [Å]	1.910	1.910
Number of reflections	40716	3625
<I/σ(I)>	24.85
Completeness [%]	98.5
Redundancy	1.9
CC(1/2)	0.996	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	3.2 M sodium/potassium phosphate