8QBZ

Crystal structure of the outer membrane decaheme cytochrome MtrC (E344Boc-Lys)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.7085
Spacegroup name	P 21 21 21
Unit cell lengths	52.967, 89.664, 153.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.120 - 1.900
R-factor	0.17586
Rwork	0.174
R-free	0.21577
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	2.671
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.660	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.451	1.390
Rmeas	0.476	1.465
Rpim	0.150	0.457
Total number of observations	659243	28551
Number of reflections	58591	2661
<I/σ(I)>	5.3	1.2
Completeness [%]	99.7
Redundancy	11.3	10.7
CC(1/2)	0.920	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	21% PEG 6000, 0.1 M CaCl2, 0.2 M Sodium acetate, pH 5.0