4YC0

Crystal structure of ADP-ribosyltransferase Vis in complex with M6 Inhibitor

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	CCD
Collection date	2013-12-12
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	48.230, 52.160, 101.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.400 - 1.500
R-factor	0.1593
Rwork	0.158
R-free	0.18030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y1w
RMSD bond length	0.008
RMSD bond angle	0.927
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.400	1.554
High resolution limit [Å]	1.500	1.500
Number of reflections	69774
<I/σ(I)>	13.04
Completeness [%]	100.0	100
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	297.15	30% Jeffamine ED-2001, 0.1 M Hepes