6MTW

Lysosomal Phospholipase A2 in complex with Zinc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0332
Spacegroup name	H 3
Unit cell lengths	84.567, 84.567, 321.744
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.337 - 1.999
R-factor	0.2488
Rwork	0.247
R-free	0.28480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x90
RMSD bond length	0.003
RMSD bond angle	0.637
Data reduction software	xia2 (0.5.546)
Data scaling software	xia2 (0.5.546)
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.340	2.070
High resolution limit [Å]	1.999	1.999
Rmerge	0.148	0.525
Rmeas	0.165	0.601
Rpim	0.072	0.286
Number of reflections	57874	5721
<I/σ(I)>	6.94	2.46
Completeness [%]	99.6	98.1
Redundancy	5.2	4.2
CC(1/2)	0.990	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	100 mM sodium cacodylate pH 5.6, 6% isopropanol, 250 mM zinc acetate, 2 mM 1-hydroxy-2-azelaoyl-sn-glycero-3-phosphocholine