5TJQ

Structure of WWP2 2,3-linker-HECT

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	61.041, 62.581, 102.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.750
R-factor	0.229
Rwork	0.225
R-free	0.31700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y07
RMSD bond length	0.010
RMSD bond angle	1.425
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.750	7.460	2.750
Rmerge	0.064	0.043	0.463
Rmeas	0.071	0.048	0.513
Rpim	0.029	0.021	0.216
Total number of observations	63592
Number of reflections	10662
<I/σ(I)>	8.9
Completeness [%]	99.1	92.8	98.6
Redundancy	6	5.4	5.2
CC(1/2)		0.998	0.834

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