4QAU

Crystal structure of F43Y mutant of sperm whale myoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	39.871, 48.400, 78.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.774 - 1.597
R-factor	0.18
Rwork	0.177
R-free	0.20450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4it8
RMSD bond length	0.007
RMSD bond angle	1.102
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.780	50.000	1.720
High resolution limit [Å]	1.597	3.010	1.597
Rmerge	0.357
Number of reflections	20569
<I/σ(I)>	26.9
Completeness [%]	10.1	15.8	19.7
Redundancy	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.2M Sodium acetate trihydrate, 0.1M Sodium cacodylate trihydrate, 30% w/v Polyethylene glycol 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K