7C90

Crystal structure of Cytochrome CL from the marine methylotrophic bacterium Methylophaga aminisulfidivorans MPT (Ma-CytcL)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-21
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97941
Spacegroup name	P 1 21 1
Unit cell lengths	61.760, 76.060, 66.440
Unit cell angles	90.00, 106.85, 90.00

Refinement procedure

Resolution	30.580 - 2.130
R-factor	0.1509
Rwork	0.148
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d0w
RMSD bond length	0.010
RMSD bond angle	2.113
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.170
High resolution limit [Å]	2.130	5.780	2.130
Rmerge	0.103	0.060	0.630
Rmeas	0.111	0.065	0.678
Rpim	0.042	0.026	0.248
Total number of observations	237733
Number of reflections	32914	1676	1595
<I/σ(I)>	11.7
Completeness [%]	99.9	97.8	100
Redundancy	7.2	6.1	7.4
CC(1/2)		0.996	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1600 mM sodium/potassium phosphate monobasic, 100 mM HEPES/sodium hydroxide pH 7.5