8SWJ

Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2021-12-14
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	56.159, 55.902, 78.522
Unit cell angles	90.00, 105.37, 90.00

Refinement procedure

Resolution	45.010 - 1.600
R-factor	0.21977
Rwork	0.218
R-free	0.26176
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.355
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.010	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.039	0.658
Rmeas	0.045	0.773
Rpim	0.023	0.395
Total number of observations		11366
Number of reflections	61582	3026
<I/σ(I)>	15	1.9
Completeness [%]	99.2
Redundancy	3.9	3.8
CC(1/2)	0.999	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG3350, 0.2M Ammonium Formate