3VTS

Crystal structure of a three finger toxin from snake venom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-10-31
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	49.718, 50.057, 57.813
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.112 - 2.426
R-factor	0.2373
Rwork	0.232
R-free	0.28090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tgx
RMSD bond length	0.008
RMSD bond angle	1.377
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.112
High resolution limit [Å]	2.426
Rmerge	0.064
Number of reflections	5614
<I/σ(I)>	20.6
Completeness [%]	96.2
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	150mM ammonium acetate, 100mM sodium acetate, 25% polyethylene glycol 4000 , pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K