5TJ7

Structure of WWP2 WW2-2,3-linker-HECT aa 334-398 linked to 485-865

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ DW
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.5417
Spacegroup name	P 1
Unit cell lengths	72.000, 73.907, 82.380
Unit cell angles	89.99, 89.66, 90.01

Refinement procedure

Resolution	50.000 - 2.600
R-factor	0.2108
Rwork	0.207
R-free	0.28360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tjq
RMSD bond length	0.013
RMSD bond angle	1.989
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.053	0.033	0.131
Rmeas	0.069	0.044	0.177
Rpim	0.044	0.028	0.118
Total number of observations	101067
Number of reflections	47592
<I/σ(I)>	16.6
Completeness [%]	91.2	99.4	55.4
Redundancy	2.1	2	1.8
CC(1/2)		0.996	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1 M potassium thiocyanate, 30% PEG monomethyl ether 2000