6S2A

PI PLC mutant H82A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.918400
Spacegroup name	P 63 2 2
Unit cell lengths	130.759, 130.759, 216.898
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.907 - 2.700
R-factor	0.2177
Rwork	0.216
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ptd
RMSD bond length	0.005
RMSD bond angle	0.827
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.910	2.797
High resolution limit [Å]	2.700	2.700
Number of reflections	30812	2998
<I/σ(I)>	10.95
Completeness [%]	99.8
Redundancy	16.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		290	Morpheus screen (Molecular dimensions)