5UT7

Wild-type sperm whale myoglobin with nitrite

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-04-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 6
Unit cell lengths	90.320, 90.320, 45.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.990 - 1.850
R-factor	0.1501
Rwork	0.148
R-free	0.18670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.027
RMSD bond angle	2.335
Data scaling software	SCALA (3.3.20)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.219	31.965	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge		0.017	0.048
Rmeas	0.035	0.029	0.067
Rpim	0.015	0.012	0.029
Total number of observations	98218
Number of reflections	18181
<I/σ(I)>	46.5	18.2	13.8
Completeness [%]	100.0	99.5	100
Redundancy	5.4	5.1	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1 M Tris-Hcl, 1 mM EDTA, pH 7.4 2.56 M Ammonium Sulfate