9GKG

Crystal structure of UNC119 in complex with Squarunkin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	78.730, 80.630, 191.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.395 - 2.210
Rwork	0.222
R-free	0.25740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.727
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.395	2.270
High resolution limit [Å]	2.210	2.210
Number of reflections	61768	4463
<I/σ(I)>	10.6
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)	0.998	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	30% w/v PEG3350 100 mM Sodium acetate pH 4.6 200-mM ammonium acetate