1UMV

Crystal structure of an acidic, non-myotoxic phospholipase A2 from the venom of Bothrops jararacussu

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	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	39.990, 53.990, 90.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.790
R-factor	0.164
Rwork	0.161
R-free	0.25500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1god
RMSD bond length	0.018 *
RMSD bond angle	1.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	1.830
High resolution limit [Å]	1.790	1.790
Rmerge	0.046	0.153
Number of reflections	9034	507 *
<I/σ(I)>	22.1	6
Completeness [%]	94.3 *	80.1
Redundancy	5.7	1.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	4.6		pH 4.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium acetate	0.1 (M)	pH4.6
2	1	1	PEG4000	28 (%)
3	1	2	protein	10 (mg/ml)