7NBB

Branched Lys48- and Lys63-linked tri-ubiquitin (K48-K63-Ub3) in complex with synthetic nanobody NbSL3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-29
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.87313
Spacegroup name	P 1 21 1
Unit cell lengths	54.389, 97.615, 74.967
Unit cell angles	90.00, 109.96, 90.00

Refinement procedure

Resolution	35.950 - 1.550
R-factor	0.1764
Rwork	0.174
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubq 5vnw
RMSD bond length	0.007
RMSD bond angle	0.915
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19rc4_4035)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	1.659
High resolution limit [Å]	1.274	1.550
Rmerge	0.099
Number of reflections	79157	3958
<I/σ(I)>	8
Completeness [%]	85.3	34
Redundancy	4	2.6
CC(1/2)	0.992	0.296

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	277.15	0.1 M Bis-Tris pH 7.2 0.28 M MgCl2 21% PEG3350 0.15 M NaCl 0.05 M Tris/HCl pH 7.5