1GMZ

Crystal structure of the D49 phospholipase A2 piratoxin III 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]	290
Detector technology	IMAGE PLATE
Collection date	2000-09-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	61.019, 100.937, 48.333
Unit cell angles	90.00, 123.76, 90.00

Refinement procedure

Resolution	14.660 - 2.400
R-factor	0.201
Rwork	0.201
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cl5
RMSD bond length	0.007
RMSD bond angle	22.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.700	2.510
High resolution limit [Å]	2.400	2.400
Rmerge	0.114	0.264
Number of reflections	8166
Completeness [%]	85.9	89.6
Redundancy	2.9	2.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.3	291 *	18% 2-PROPANOL, 21% PEG 4000 AND 0.1 M NA CITRATE PH 5.3

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	2-propanol	18 (%)
3	1	reservoir	PEG4000	21 (%)
4	1	reservoir	sodium citrate	0.1 (M)