5VZP

Sperm whale myoglobin H64Q with nitric oxide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-10
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	P 6
Unit cell lengths	90.132, 90.132, 45.248
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.950 - 1.780
R-factor	0.1546
Rwork	0.152
R-free	0.19280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2mbw
RMSD bond length	0.023
RMSD bond angle	2.443
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.054	0.048	0.084
Rmeas	0.058	0.052	0.096
Rpim	0.021	0.020	0.044
Total number of observations	140393
Number of reflections	20200
<I/σ(I)>	32.6
Completeness [%]	99.3	98.9	86.9
Redundancy	7	6.5	4.3
CC(1/2)		0.997	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris-HCl, 1 mM EDTA, pH 9 2.5 M Ammonium Sulfate