8JIG

A Novel UHRF1-Targeted Compound

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	2019-12-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97
Spacegroup name	P 31
Unit cell lengths	65.875, 65.875, 95.634
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.647 - 2.400
Rwork	0.208
R-free	0.24430
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.486
High resolution limit [Å]	2.400	2.400
Number of reflections	17248	1811
<I/σ(I)>	16.11
Completeness [%]	95.0
Redundancy	5.4
CC(1/2)	0.983	0.637

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M Bris-Tris, pH 6.0, 0.2M NaCl, 1mM TCEP, 2.2-2.4mM ammonium sulfate