5XJ8

Crystal structure of PlsY (YgiH), an integral membrane glycerol 3-phosphate acyltransferase - the lysphosphatidic acid form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2017-01-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	123.888, 40.895, 91.705
Unit cell angles	90.00, 95.59, 90.00

Refinement procedure

Resolution	35.330 - 2.410
R-factor	0.23
Rwork	0.228
R-free	0.26350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.459
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]	35.330	2.500
High resolution limit [Å]	2.410	2.410
Rmerge	0.099	0.750
Rpim	0.060	0.448
Number of reflections	18124
<I/σ(I)>	11.37	2
Completeness [%]	99.1	96.8
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	293	1mol% of palmitoyl lysophosphatidic acid, 39% PEG 350 MME, 0.04M NaCl, 0.04M Tris HCl pH 8.0