7M4O

Crystal structure of phosphorylated RBR E3 ligase RNF216 in complex with K63-linked di-ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953724
Spacegroup name	P 21 21 21
Unit cell lengths	41.526, 84.216, 90.095
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.050 - 2.210
R-factor	0.2059
Rwork	0.201
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7m4n
RMSD bond length	0.003
RMSD bond angle	0.534
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.050	2.270
High resolution limit [Å]	2.210	2.210
Rmerge	0.131	0.960
Rmeas	0.154	1.132
Rpim	0.080	0.594
Number of reflections	16539	1375
<I/σ(I)>	7.7	1.5
Completeness [%]	99.8	98
Redundancy	6.6	6.4
CC(1/2)	0.997	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.22	293	0.259 M ammonium sulfate, 30.1 % PEG monomethyl ether 2000, 0.1M sodium acetate-acetic acid pH 5.22