8SVJ

Ubiquitin variant i53: mutant VHH with 53BP1 Tudor domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97939
Spacegroup name	P 21 21 21
Unit cell lengths	39.980, 46.920, 90.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.710 - 1.500
Rwork	0.210
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.710	1.530
High resolution limit [Å]	1.500	1.500
Rpim	0.024	0.283
Number of reflections	27947	2730
<I/σ(I)>	15.9	2.52
Completeness [%]	99.8	99.74
Redundancy	7.3	7.3
CC(1/2)	0.998	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.1 M MES pH 6.0, 0.2 M Trimethylamine N-oxide dehydrate, 13% w/v PEG MME 2000