7ZSX

F32V Cytochrome c prime beta from Methylococcus capsulatus (Bath): CO Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 3
Unit cell lengths	105.873, 105.873, 105.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.940 - 1.770
R-factor	0.1918
Rwork	0.191
R-free	0.21150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hih
RMSD bond length	0.015
RMSD bond angle	2.090
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.940	52.950	1.800
High resolution limit [Å]	1.770	4.800	1.770
Rmeas	0.069	0.028	2.036
Rpim	0.026	0.011	0.776
Total number of observations		14049	13139
Number of reflections	38759	2060	1938
<I/σ(I)>	18.7	93.1	0.6
Completeness [%]	100.0	99.8	100
Redundancy	6.7	6.8	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	2 microlitres of 15 mg/ml protein in 0.1 M HEPES buffer, pH 7.5, mixed with with an equivalent volume of reservoir solution containing 0.01 M ZnSO4, 30% PEG 550 (v/v) and 0.1 M MES, pH 6.5. Cryoprotection in ML plus 10% glycerol