6UF3

Crystal structure of B. subtilis TagV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	40.994, 66.104, 81.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.643 - 1.600
R-factor	0.2018
Rwork	0.200
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nxh
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.643	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.063	1.456
Number of reflections	30022	2963
<I/σ(I)>	19	1.5
Completeness [%]	99.8
Redundancy	7.6	7.7
CC(1/2)	1.000	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.3 M ammonium nitrate, 17% PEG 3350