6LS8

The monomeric structure of G80A/H81A/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	CCD
Collection date	2016-06-22
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	59.147, 61.490, 70.323
Unit cell angles	78.83, 81.14, 63.12

Refinement procedure

Resolution	43.409 - 2.300
R-factor	0.2188
Rwork	0.216
R-free	0.27390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wla
RMSD bond length	0.011
RMSD bond angle	1.360
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.078	0.594
Number of reflections	37657	1876
<I/σ(I)>	10.1
Completeness [%]	98.0
Redundancy	1.9
CC(1/2)		0.554

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1M Tris-HCl buffer, 15% (w/v) PEG 6000