7VW4

The X-ray structure of sperm whale F46C/L61C myoglobin double mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	39.944, 48.016, 76.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.010 - 1.800
R-factor	0.1826
Rwork	0.179
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	101m
RMSD bond length	0.013
RMSD bond angle	1.560
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.010	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.081	0.627
Rpim	0.023	0.174
Number of reflections	27268	2600
<I/σ(I)>	25.39	6.15
Completeness [%]	95.6	94.34
Redundancy	13.2	13.6
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 8000, Sodium cacodylate trihydrate pH 6.5, Sodium acetate trihydrate