9WN1

PhospholipaseA2 with a ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2023-01-25
Detector	APEX II CCD
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	88.956, 159.748, 132.480
Unit cell angles	90.00, 90.18, 90.00

Refinement procedure

Resolution	20.300 - 2.760
R-factor	0.2231
Rwork	0.221
R-free	0.26750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.973
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_3885: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.910
High resolution limit [Å]	2.760	2.760
Number of reflections	90466	2802
<I/σ(I)>	7.5
Completeness [%]	95.5
Redundancy	6.9
CC(1/2)	0.994	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	8% PEG6000,0.1M MES 6.0, 0.2M KCL