5TFV

Crystal Structure of MT-I isolated from Bothrops asper venom.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-27
Detector	MAR CCD 165 mm
Wavelength(s)	1.459
Spacegroup name	P 32 2 1
Unit cell lengths	56.534, 56.534, 136.459
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.320 - 2.540
R-factor	0.2435
Rwork	0.242
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jr8
RMSD bond length	0.002
RMSD bond angle	0.619
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.320	2.630
High resolution limit [Å]	2.540	2.540
Rmerge	0.080	0.700
Number of reflections	8750
<I/σ(I)>	20.31
Completeness [%]	99.7	99.53
Redundancy	10.7	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		283	20% (w/v) PEG 3350 and 0.2 M triammonium citrate.