7AZN

Structure of mouse AsterC (GramD1c) with a new cholesterol-derived compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-12-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	C 1 2 1
Unit cell lengths	65.995, 49.397, 61.691
Unit cell angles	90.00, 100.07, 90.00

Refinement procedure

Resolution	26.770 - 2.090
R-factor	0.2193
Rwork	0.217
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gqf
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.770	2.150
High resolution limit [Å]	2.090	2.090
Rmerge	0.060	0.252
Rmeas	0.083	0.347
Rpim	0.057	0.239
Number of reflections	11465	808
<I/σ(I)>	7.1	2.9
Completeness [%]	97.9	84.2
Redundancy	3.2	2.7
CC(1/2)	0.994	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	291	0.1 M SPG buffer pH 4 25 % PEG 1500