8Q1V

TtX183A - A c-type cytochrome domain from the Teredinibacter turnerae protein TERTU_2913

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-29
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 41 3 2
Unit cell lengths	92.669, 92.669, 92.669
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.530 - 1.400
Rwork	0.165
R-free	0.19300
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	2.543
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELX
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.530	65.530	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.125	0.036	3.874
Rmeas	0.129	0.037	3.976
Rpim	0.029	0.008	0.894
Number of reflections	27430	232	1326
<I/σ(I)>	22.5
Completeness [%]	100.0
Redundancy	36.9	30.6	37.5
CC(1/2)	1.000	1.000	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20-25 % (w/v) PEG 6000, 1 M LiCl2 and 0.1 M Citrate pH 4.0