5TJ8

Structure of WWP2 WW2-2,3-linker-HECT (no WW2 observed)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	44.229, 89.269, 111.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.2199
Rwork	0.215
R-free	0.31620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tjq
RMSD bond length	0.013
RMSD bond angle	1.677
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.077	0.057	0.267
Rmeas	0.085	0.064	0.330
Rpim	0.037	0.029	0.191
Total number of observations	112727
Number of reflections	21431
<I/σ(I)>	9.2
Completeness [%]	92.5	92.3	65.2
Redundancy	5.3	4.9	2.5
CC(1/2)		0.996	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	298	0.1 M MMT (DL-malic acid, MES, Tris-base in molar ratio of 1:2:2) pH 6.0, 25% PEG1500