8T2D

Ubiquitin variant i53:Mutant T12Y.T14E.L67R 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 PILATUS3 6M
Wavelength(s)	0.97939
Spacegroup name	P 21 21 21
Unit cell lengths	39.511, 46.855, 91.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.850 - 1.751
Rwork	0.222
R-free	0.27250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.348
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.850	1.813
High resolution limit [Å]	1.751	1.751
Rmerge	0.060
Rmeas	0.065
Rpim	0.025	0.937
Number of reflections	17557	1636
<I/σ(I)>	12.41
Completeness [%]	98.9	94.24
Redundancy	6.6	3.8
CC(1/2)	0.999	0.386

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.1 M MES pH 6.0, 0.2 M Trimethylamine N-oxide dehydrate, 13% w/v PEG MME 2000