8Q29

TtX122A - A domain of unknown function from the Teredinibacter turnerae protein TERTU_3803

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	2017-05-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97952
Spacegroup name	P 1 21 1
Unit cell lengths	48.081, 75.167, 69.074
Unit cell angles	90.00, 107.42, 90.00

Refinement procedure

Resolution	49.550 - 1.500
Rwork	0.112
R-free	0.15630
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.779
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]	49.550	49.550	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.047	0.025	0.409
Rmeas	0.060	0.032	0.523
Rpim	0.037	0.019	0.322
Number of reflections	73564	460	3553
<I/σ(I)>	14.5
Completeness [%]	98.2
Redundancy	4.5	4.1	4.6
CC(1/2)	0.999	0.999	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.1 M magnesium acetate, 15-25% PEG-3350