6TZZ

Crystal Structure of Tetrahymena Thermophila Lipin Phosphatidic Acid Phosphatase with Magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.91839
Spacegroup name	C 1 2 1
Unit cell lengths	165.410, 57.644, 84.191
Unit cell angles	90.00, 114.90, 90.00

Refinement procedure

Resolution	47.492 - 3.000
R-factor	0.2447
Rwork	0.242
R-free	0.28750
Structure solution method	MOLECULAR REPLACEMENT
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]	47.520	47.520	2.650
High resolution limit [Å]	2.580	11.540	2.580
Rmerge	0.250	0.147	1.247
Rmeas	0.270	0.159	1.347
Rpim	0.102	0.059	0.505
Total number of observations	158812	1898	12122
Number of reflections	23065	283	1713
<I/σ(I)>	4.4	10.9	1.5
Completeness [%]	100.0	98.8	100
Redundancy	6.9	6.7	7.1
CC(1/2)	0.985	0.982	0.411

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M Mg(NO3)2, 10% PEG 3350