9CKJ

Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC9512

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-11
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	41.884, 76.025, 258.641
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.920 - 2.250
R-factor	0.221
Rwork	0.219
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.118	0.055	0.548
Rmeas	0.128	0.060	0.614
Rpim	0.048	0.023	0.268
Total number of observations	270070
Number of reflections	39221	2176	1639
<I/σ(I)>	11.1
Completeness [%]	97.9	97.6	82.9
Redundancy	6.9	6.5	4.4
CC(1/2)	0.988	0.998	0.729

Crystallization Conditions

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