6ZTI

Phospholipase PlaB from Legionella pneumophila in complex with thio-NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-06
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.21233
Spacegroup name	P 1
Unit cell lengths	75.831, 90.725, 92.790
Unit cell angles	78.44, 90.26, 75.41

Refinement procedure

Resolution	46.910 - 1.810
R-factor	0.188
Rwork	0.186
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	xxxx
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (dev_3922)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.910	1.950
High resolution limit [Å]	1.810	1.810
Rmerge	0.390	2.380
Rmeas	0.410	2.600
Rpim	0.110	0.820
Number of reflections	161898	8096
<I/σ(I)>	7.3	1.6
Completeness [%]	76.0
Redundancy	12.9
CC(1/2)	0.990	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	100 mM Tris pH 8.5, 8.33% glycerol, 10.8% 2-propanol