7P47

Structure of the E3 ligase Smc5/Nse2 in complex with Ubc9-SUMO thioester mimetic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	71.144, 103.240, 115.616
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.135 - 3.314
R-factor	0.2386
Rwork	0.236
R-free	0.29320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3htk
RMSD bond length	0.009
RMSD bond angle	1.517
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.140	3.580
High resolution limit [Å]	3.310	3.310
Number of reflections	13097	2585
<I/σ(I)>	9.7
Completeness [%]	99.2
Redundancy	5.4
CC(1/2)	0.990	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		311	12% PEG8000, 0.2M dimethyl-2-hydroxyethylammoniumpropane sulfonate (NDSB 211), 8% ethylene glycol, 0.1M MES pH 6.5