8RD1

HUWE1 WWE domain in complex with compound 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000000
Spacegroup name	P 43 21 2
Unit cell lengths	62.768, 62.768, 231.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.980 - 1.896
R-factor	0.181
Rwork	0.179
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.920
Data scaling software	STARANISO ((Version 1.1.7))
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.580	1.928
High resolution limit [Å]	1.896	1.896
Rmerge	0.135
Number of reflections	38225	532
<I/σ(I)>	13.4	1.4
Completeness [%]	93.2	30.6
Redundancy	12.7	8.1
CC(1/2)	0.998	0.647

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		278	0.1 M Na Acetate pH 4.83, 2.9 M NaCl