6M31

Structural and Functional Insights into an Archaeal Lipid Synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-10
Detector	DECTRIS PILATUS3 R 1M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	70.000, 133.490, 79.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.890 - 2.300
R-factor	0.202
Rwork	0.201
R-free	0.23000
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.890	3.970	2.430
High resolution limit [Å]	2.290	3.440	2.290
Rmerge	0.092	0.072	0.773
Rmeas	0.099	0.078	0.834
Number of reflections	33780	6618	10285
<I/σ(I)>	13.4		2.63
Completeness [%]	99.8	100	99.5
Redundancy	6.904	6.962	6.974
CC(1/2)	0.999	0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293.15	200 mM NaCl, 20% (w/v) PEG500, and 200 mM Tris-HCl (pH 8.0).