6I8W

Crystal structure of a membrane phospholipase A, a novel bacterial virulence factor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9686
Spacegroup name	I 41 2 2
Unit cell lengths	133.871, 133.871, 212.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.330 - 2.000
R-factor	0.1642
Rwork	0.163
R-free	0.18570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vf2
RMSD bond length	0.008
RMSD bond angle	1.069
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MrBUMP
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.330	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.053
Rmeas	0.056
Rpim	0.017	0.307
Number of reflections	65113	4527
<I/σ(I)>	24.6	2.5
Completeness [%]	100.0	100
Redundancy	10.3	10.5
CC(1/2)	1.000	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	292.15	0.1 M Trisodium citrate, 10% (w/v) PEG 4000, 10% (w/v) Isopropanol