5DZQ

C3larvin toxin, an ADP-ribosyltransferase from Paenibacillus larvae, Orthorhombic Form

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	2014-05-01
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	61.073, 76.002, 89.367
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.607 - 1.892
R-factor	0.1948
Rwork	0.193
R-free	0.23020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tr5
RMSD bond length	0.007
RMSD bond angle	1.022
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.610	1.960
High resolution limit [Å]	1.890	1.890
Rmerge	0.045
Number of reflections	33554
<I/σ(I)>	25.22
Completeness [%]	98.9	89.64
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	297.15	0.2 M magnesium chloride hexahydrate, 0.1 M Tris-HCl, 30% w/v PEG4000