8HAW

An auto-activation mechanism of plant non-specific phospholipase C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-06-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	63.047, 61.621, 132.804
Unit cell angles	90.00, 103.59, 90.00

Refinement procedure

Resolution	39.990 - 2.100
R-factor	0.1852
Rwork	0.184
R-free	0.21140
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.602
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.19rc5_4047)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.100	0.240
Rmeas	0.120	0.284
Rpim	0.047	0.151
Number of reflections	58086	4459
<I/σ(I)>	10.1	5.8
Completeness [%]	99.9	100
Redundancy	6.67	6.83
CC(1/2)	0.995	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	290	PEG 8000, Glycerol, Potassium phosphate monobasic