7JYA

Crystal structure of E3 ligase in complex with peptide

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 41 21 2
Unit cell lengths	100.133, 100.133, 287.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.330 - 2.460
R-factor	0.2218
Rwork	0.220
R-free	0.26030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ma4
RMSD bond length	0.008
RMSD bond angle	1.249
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.500
High resolution limit [Å]	2.460	6.670	2.460
Rmerge	0.059	0.025	0.970
Rmeas	0.064	0.027	1.051
Rpim	0.024	0.011	0.397
Total number of observations	366983
Number of reflections	53959	2929	2692
<I/σ(I)>	9.1
Completeness [%]	99.5	97.2	99.9
Redundancy	6.8	6.4	6.7
CC(1/2)		0.998	0.852

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