4TLW

CARDS TOXIN, FULL-LENGTH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97903
Spacegroup name	H 3
Unit cell lengths	178.431, 178.431, 89.521
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.610 - 2.550
R-factor	0.2
Rwork	0.198
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.102
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.550	2.550
Number of reflections	34160
<I/σ(I)>	20.5	2.1
Completeness [%]	99.1	93.2
Redundancy	4.5	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	30% PEG 1000, 0.1 M TRIS-HCL