7EHX

X-ray crystal strcture of F46C/L49C sperm whale myoglobin with an intramolecular disulfide bond

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	2020-01-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	39.956, 49.620, 76.802
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.610 - 1.800
R-factor	0.1965
Rwork	0.195
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mcy
RMSD bond length	0.010
RMSD bond angle	1.283
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge		0.518
Rpim	0.024	0.177
Number of reflections	14702	704
<I/σ(I)>	31.7	5
Completeness [%]	99.6	99
Redundancy	11.3
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% peg 8000,