4RUD

Crystal structure of a three finger toxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	200
Detector technology	CCD
Collection date	2012-04-20
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9798
Spacegroup name	P 4 21 2
Unit cell lengths	58.800, 58.800, 70.567
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.255 - 1.950
R-factor	0.2042
Rwork	0.201
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3plc
RMSD bond length	0.007
RMSD bond angle	1.244
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.255	1.990
High resolution limit [Å]	1.950	1.950
Number of reflections	18858
Completeness [%]	99.4	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	20mM Tris-HCl, 150mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K