2Q2J

Crystal structure of PrTX-I, a PLA2 homolog from Bothrops pirajai

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	2006-08-01
Detector	MAR CCD 165 mm
Spacegroup name	P 31 2 1
Unit cell lengths	55.883, 55.883, 127.913
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.990 - 1.650
R-factor	0.214
Rwork	0.214
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.710
High resolution limit [Å]	1.650	1.650
Number of reflections	25830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	0.1M Tris HCl, 30% PEG 4000, 0.2M lithium sulfate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K