6TZY

Crystal Structure of a lipin/Pah Phosphatidic Acid Phosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	108.017, 135.126, 90.974
Unit cell angles	90.00, 116.19, 90.00

Refinement procedure

Resolution	52.050 - 3.000
R-factor	0.2382
Rwork	0.237
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6tzz
Data reduction software	DIALS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.230	53.230	2.730
High resolution limit [Å]	2.660	11.900	2.660
Rmerge	0.095	0.041	0.935
Rmeas	0.103	0.045	1.009
Rpim	0.039	0.017	0.376
Total number of observations	235447	2628	17817
Number of reflections	33662	392	2481
<I/σ(I)>	10	32.9	1.8
Completeness [%]	100.0	99.1	100
Redundancy	7	6.7	7.2
CC(1/2)	0.999	0.998	0.396

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.2 M Ca(NO3)2, 15% PEG 8,000, 0.1M MES pH 6