6XKC

Crystal structure of E3 ligase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97890
Spacegroup name	P 31
Unit cell lengths	97.003, 97.003, 148.341
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.450 - 2.030
R-factor	0.219
Rwork	0.218
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ma4
RMSD bond length	0.009
RMSD bond angle	1.020
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.030	5.510	2.030
Rmerge	0.068	0.033	0.836
Rmeas	0.075	0.036	0.950
Rpim	0.032	0.015	0.441
Total number of observations	521083
Number of reflections	99464	5103	4194
<I/σ(I)>	11
Completeness [%]	97.6	99.8	82.1
Redundancy	5.2	5.8	3.6
CC(1/2)		0.999	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	16% Jeffamine M-600 pH 7.0 and 0.1 M HEPES 7.0