8HAV

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 21 21 21
Unit cell lengths	59.055, 121.441, 157.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.020 - 2.100
R-factor	0.1826
Rwork	0.182
R-free	0.20890
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.031
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19rc5_4047)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.083	0.406
Rmeas	0.094	0.438
Rpim	0.025	0.165
Number of reflections	78362	4402
<I/σ(I)>	18.9	5.8
Completeness [%]	99.9	100
Redundancy	12.88	13.49
CC(1/2)	0.998	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	Hepes, PEG 3350, Magnesium Chloride Potassium sodium tartrate tetrahydrate