6BJE

Crystal Structure of Lysophospholipase A2 Conjugated with Phenylmethylsulfonyl Fluoride

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 43 21 2
Unit cell lengths	54.769, 54.769, 279.619
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.905 - 2.700
R-factor	0.2256
Rwork	0.221
R-free	0.26410
RMSD bond length	0.003
RMSD bond angle	0.695
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	139.810	139.810	2.810
High resolution limit [Å]	2.660	8.420	2.660
Rmerge		0.125
Rmeas		0.131
Rpim	0.145	0.039	0.507
Number of reflections	12993	535	1618
<I/σ(I)>	7.6
Completeness [%]	98.4	100	88.7
Redundancy	12	10.3	9.9
CC(1/2)	0.988	0.998	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M NaCitric pH 5.6, 15% PEG-3350