5VZQ

Sperm whale myoglobin V68A/I107Y 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	2013-11-03
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	34.816, 29.321, 63.923
Unit cell angles	90.00, 105.74, 90.00

Refinement procedure

Resolution	50.000 - 1.790
R-factor	0.1589
Rwork	0.157
R-free	0.20480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2mbw
RMSD bond length	0.019
RMSD bond angle	1.999
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.820
High resolution limit [Å]	1.790	4.860	1.790
Rmerge	0.027	0.022	0.042
Rmeas	0.033	0.027	0.054
Rpim	0.018	0.016	0.033
Total number of observations	35049
Number of reflections	11655
<I/σ(I)>	49.1
Completeness [%]	97.0	96.4	91.9
Redundancy	3	2.6	2
CC(1/2)		0.999	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris-HCl, 1 mM EDTA, pH 7.4 2.56 M Ammonium Sulfate