7DGJ

The dimeric structure of K78H/G80A/H82A myoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	57.442, 62.695, 83.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.330 - 1.600
R-factor	0.20912
Rwork	0.207
R-free	0.24472
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vm9
RMSD bond length	0.011
RMSD bond angle	1.668
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.680
High resolution limit [Å]	1.600	1.600
Rmerge	0.052	0.850
Number of reflections	40403	5671
<I/σ(I)>	17	1.8
Completeness [%]	99.6
Redundancy	6.3
CC(1/2)	0.999	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M Sodium acetate, 0.1 M Tris-HCl, 25% (w/v) PEG 6,000