5HLQ

X-ray crystal structure of met F43H/H64A sperm whale myoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	77
Detector technology	CCD
Collection date	2016-01-08
Detector	RIGAKU
Wavelength(s)	0.988
Spacegroup name	P 21 21 21
Unit cell lengths	39.811, 49.197, 77.459
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.950 - 1.500
R-factor	0.14394
Rwork	0.143
R-free	0.15991
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eri
RMSD bond length	0.031
RMSD bond angle	2.573
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.950	1.530
High resolution limit [Å]	1.500	1.500
Rmerge		0.077
Number of reflections	24841
<I/σ(I)>	26.05	20.1
Completeness [%]	99.3	99.3
Redundancy	3.8	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Sodium acetate trihydrate, 0.1M Sodium cacodylate trihydrate pH 6.5, 30%(w/v) Polyethylene glycol 8,000