5VZO

Sperm whale myoglobin H64A 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	2013-11-17
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	P 6
Unit cell lengths	90.222, 90.222, 45.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.610 - 1.780
R-factor	0.1506
Rwork	0.149
R-free	0.18640
RMSD bond length	0.022
RMSD bond angle	2.186
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	0.046	0.091
Rmeas	0.060	0.051	0.107
Rpim	0.024	0.021	0.055
Number of reflections	20265
<I/σ(I)>	23.1
Completeness [%]	99.5	97.3	93.5
Redundancy	5.9	5.6	3.6
CC(1/2)		0.998	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	0.1 M Tris-Hcl, 1 mM EDTA, pH 9 2.3 M Ammonium Sulfate