2VK9

CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF ALPHA-TOXIN FROM CLOSTRIDIUM NOVYI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 61
Unit cell lengths	154.612, 154.612, 77.605
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	77.380 - 2.850
R-factor	0.226
Rwork	0.224
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.127
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.380	2.940
High resolution limit [Å]	2.850	2.850
Rmerge	0.110	0.470
Number of reflections	24863
<I/σ(I)>	24.6	9.3
Completeness [%]	99.9	100
Redundancy	14.3	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1