8Q1W

TtX183B - A c-type cytochrome domain from the Teredinibacter turnerae protein TERTU_2913

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	2019-05-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96884
Spacegroup name	P 1
Unit cell lengths	38.548, 38.659, 44.049
Unit cell angles	90.48, 90.59, 94.48

Refinement procedure

Resolution	38.457 - 1.800
Rwork	0.195
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	2.400
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.540	38.540	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.202	0.106	0.765
Rmeas	0.286	0.150	1.082
Rpim	0.202	0.106	0.765
Number of reflections	22802	435	1417
<I/σ(I)>	3.4
Completeness [%]	96.8
Redundancy	2.3	2.3	2.2
CC(1/2)	0.816	0.816	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	15-25% (w/v) PEG 6000, 200 mM sodium acetate pH 5.0 and 200 mM NaCl