2VKD

CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF LETHAL TOXIN FROM CLOSTRIDIUM SORDELLII IN COMPLEX WITH UDP-GLC AND MANGANESE ION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	57.287, 190.322, 204.419
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.170 - 2.530
R-factor	0.247
Rwork	0.244
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.108
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.170	2.620
High resolution limit [Å]	2.530	2.530
Rmerge	0.120	0.410
Number of reflections	75590
<I/σ(I)>	12.1	4.3
Completeness [%]	99.7	100
Redundancy	5.9	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1