7V5Q

The dimeric structure of G80A/H81A/L137E myoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	57.460, 63.030, 83.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.320 - 1.380
R-factor	0.16675
Rwork	0.165
R-free	0.20504
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vm9
RMSD bond length	0.008
RMSD bond angle	1.477
Data reduction software	XDS
Data scaling software	pointless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.320	1.400
High resolution limit [Å]	1.380	1.380
Rmerge	0.131
Number of reflections	62992	3135
<I/σ(I)>	10.9
Completeness [%]	99.9
Redundancy	1
CC(1/2)	0.998	0.865

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, 10% (w/v) PEG 6,000, and 5 % (w/v) PEG 8,000