7LIO

X-ray structure of SPOP MATH domain (S119D) in complex with a 53BP1 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-02-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9794
Spacegroup name	P 41 21 2
Unit cell lengths	103.592, 103.592, 130.149
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.650 - 3.010
R-factor	0.233
Rwork	0.228
R-free	0.27660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lin
RMSD bond length	0.006
RMSD bond angle	0.981
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.16_3549)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.650	3.110
High resolution limit [Å]	3.010	3.010
Rmerge	0.142	2.095
Rmeas	0.145	2.130
Rpim	0.026	0.372
Number of reflections	14508	1368
<I/σ(I)>	33.55	2.59
Completeness [%]	98.9
Redundancy	31.5
CC(1/2)	1.000	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	SPOP MATH (S119D) was at a concentration of 20 mg/ml with a 1:5 protein:53BP1 peptide molar ratio. Crystals were grown by the hanging drop method, mixing 2 ul of the protein sample in 20 mM Tris-HCl, pH 7.6, 150 mM NaCl, 5 mM DTT and 2 ul of the reservoir solution for the drop. The reservoir solution was 0.5 ml of 2 M (NH4)2SO4.