7V5R

The dimeric structure of G80A/H81A/L137D myoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	56.160, 62.860, 81.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.370 - 1.390
R-factor	0.2079
Rwork	0.207
R-free	0.23369
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vm9
RMSD bond length	0.017
RMSD bond angle	2.277
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]	46.330	1.410
High resolution limit [Å]	1.390	1.390
Rmerge	0.018
Number of reflections	59149	2987
<I/σ(I)>	24.8
Completeness [%]	100.0
Redundancy	1.9
CC(1/2)	0.999	0.856

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 6000, and 5 % (w/v) PEG 200