6PFL

Crystal structure of Human HUWE1 WWE domain in complex with ADPR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	50.423, 50.423, 128.412
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.670 - 2.100
R-factor	0.2106
Rwork	0.208
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6miw
RMSD bond length	0.011
RMSD bond angle	1.439
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.670	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.074	0.528
Rmeas	0.082	0.575
Rpim	0.032	0.221
Total number of observations	67269	5537
Number of reflections	11221	904
<I/σ(I)>	11.3	2.1
Completeness [%]	97.8	99.5
Redundancy	6	6.1
CC(1/2)	0.997	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	1.4M NaCitrate, and 0.1M Tris-HCL pH7.5