9YV3

Crystal Structure of a ternary complex of Saccharomyces cerevisiae Sec14 with a small molecule inhibitor and phosphatidylcholine

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	2023-02-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.77489
Spacegroup name	P 32 2 1
Unit cell lengths	89.240, 89.240, 100.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.710 - 2.250
R-factor	0.2194
Rwork	0.217
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.710	2.330
High resolution limit [Å]	2.250	2.250
Rmeas	0.173	1.870
Number of reflections	22389	2209
<I/σ(I)>	9.6	2.1
Completeness [%]	100.0
Redundancy	4.5
CC(1/2)	0.996	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	296	0.05 M ammonium sulfate, 0.05 M Bis Tris 30% v/v pentaeritheytolethoxylate (pH 6.5)