5URP

Plx2a, an ADP-ribosyltransferase toxin from Paenibacillus larvae

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	2015-08-15
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	46.920, 53.970, 98.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.090 - 1.650
R-factor	0.1731
Rwork	0.172
R-free	0.19960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tr5
RMSD bond length	0.010
RMSD bond angle	1.082
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.090	1.709
High resolution limit [Å]	1.650	1.650
Rmerge	0.056	0.929
Number of reflections	30729	3022
<I/σ(I)>	15.71	1.71
Completeness [%]	100.0	100
Redundancy	6	5.7
CC(1/2)	0.999	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		294	4M Sodium Formate