5UT8

Deoxy form of sperm whale myoglobin H64A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-11
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	P 6
Unit cell lengths	90.399, 90.399, 45.271
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.010 - 1.780
R-factor	0.1491
Rwork	0.148
R-free	0.17140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	2.390
Data scaling software	HKL-3000
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	0.052	0.045	0.077
Rmeas	0.056	0.049	0.087
Rpim	0.021	0.019	0.040
Number of reflections	20332
<I/σ(I)>	31.7
Completeness [%]	99.5	98.5	91.9
Redundancy	7	6.6	4.4
CC(1/2)		0.998	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		294	0.1 M Tris-Hcl, 1 mM EDTA, pH 9 2.3 M Ammonium Sulfate