9MLE

Crystal structure of Asp49 Phospholipase A2 isolated from Lachesis muta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-31
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97718
Spacegroup name	P 62 2 2
Unit cell lengths	98.187, 98.187, 120.524
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.170 - 2.360
R-factor	0.243
Rwork	0.242
R-free	0.26370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.599
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2-4158-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.170	2.450
High resolution limit [Å]	2.360	2.360
Rmerge	0.093	0.875
Rmeas	0.095	0.896
Rpim	0.021	0.191
Number of reflections	14731	1507
<I/σ(I)>	29.5
Completeness [%]	100.0	100
Redundancy	37.1	41
CC(1/2)	0.997	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	291	0.2 M Sodium acetate trihydrate, 0.1 M MES pH 6.0 and 20 % w/v PEG 8000