8Q2A

TtX122B - A domain of unknown function 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	2018-09-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96863
Spacegroup name	P 21 21 21
Unit cell lengths	69.141, 75.324, 116.863
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.690 - 2.200
Rwork	0.208
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.031
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]	46.690	46.690	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.365	0.133	2.304
Rmeas	0.432	0.156	2.805
Rpim	0.228	0.080	1.568
Number of reflections	31699	531	15164
<I/σ(I)>	6.2
Completeness [%]	99.8
Redundancy	6.8	5.8	5.6
CC(1/2)	0.601	0.964	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.2 M NaCl, 25% PEG3350 and 0.1 M Bis-Tris pH 6.5