8QBQ

Crystal structure of the outer membrane decaheme cytochrome MtrC (A430Boc-Lys)

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	2023-01-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	52.904, 89.609, 154.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.800 - 1.810
R-factor	0.1564
Rwork	0.155
R-free	0.18660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.057
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.400	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.134	1.360
Rmeas	0.140	1.557
Rpim	0.039	0.737
Total number of observations	1078151	10966
Number of reflections	95747	2787
<I/σ(I)>	10.3	0.4
Completeness [%]	89.6
Redundancy	11.3	3.9
CC(1/2)	0.998	0.355

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M Na Acetate pH 5.0, 100 mM CaCl2 and 21% PEG 6000