6YQ4

Crystal structure of Fusobacterium nucleatum tannase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	71.840, 91.067, 124.068
Unit cell angles	90.00, 101.70, 90.00

Refinement procedure

Resolution	47.790 - 2.399
R-factor	0.1752
Rwork	0.171
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j0d
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.791	2.480
High resolution limit [Å]	2.390	2.390
Number of reflections	60896	6014
<I/σ(I)>	15.31
Completeness [%]	99.0	98.74
Redundancy	6.62
CC(1/2)	0.997	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	PEG 3350, Tris-HCl