7LIN

X-ray structure of SPOP MATH domain (D140G) 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	C 2 2 21
Unit cell lengths	43.657, 90.724, 92.819
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.320 - 1.440
R-factor	0.1685
Rwork	0.167
R-free	0.18620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hqm
RMSD bond length	0.006
RMSD bond angle	0.873
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]	24.320	1.490
High resolution limit [Å]	1.440	1.440
Rmerge	0.032	0.150
Rmeas	0.034	0.170
Rpim	0.012	0.060
Number of reflections	33113	3207
<I/σ(I)>	43.35
Completeness [%]	98.2	97.15
Redundancy	8.1	6.7
CC(1/2)	1.000	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	SPOP MATH was at 24 mg/ml and 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. Reservoir solution: 0.1 M sodium citrate tribasic dihydrate, pH 5.6, 0.2 M (NH4)2SO4, 1 M Li2SO4