6XZ1

Conjugate of the HECT domain of HUWE1 with ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.976300
Spacegroup name	C 1 2 1
Unit cell lengths	140.552, 142.171, 103.512
Unit cell angles	90.00, 129.61, 90.00

Refinement procedure

Resolution	79.752 - 2.300
R-factor	0.2265
Rwork	0.226
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubq 3h1d
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.752	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.169
Rmeas	0.188
Rpim	0.081	0.906
Number of reflections	135622	6927
<I/σ(I)>	7.14	0.84
Completeness [%]	99.7	99.65
Redundancy	5.3	5.2
CC(1/2)	0.995	0.482

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.65 M Sodium phosphate monobasic, potassium phosphate dibasic, 0.1 M HEPES pH 7.5