7DGK

The Co-bound dimeric structure of K78H/G80A/H82A myoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-04
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	55.202, 62.409, 82.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.080 - 1.750
R-factor	0.20791
Rwork	0.206
R-free	0.25118
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vm9
RMSD bond length	0.015
RMSD bond angle	1.752
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	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.081	1.378
Number of reflections	29542	4248
<I/σ(I)>	10.6	1.3
Completeness [%]	99.8
Redundancy	6.6
CC(1/2)	0.999	0.679

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