7LIQ

X-ray structure of SPOP MATH domain (S119A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 61 2 2
Unit cell lengths	77.457, 77.457, 106.246
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.650 - 1.980
R-factor	0.195
Rwork	0.192
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lin
RMSD bond length	0.009
RMSD bond angle	1.046
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]	41.650	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.067	0.998
Rmeas	0.068	1.015
Rpim	0.011	0.182
Number of reflections	13677	1321
<I/σ(I)>	29.41
Completeness [%]	100.0
Redundancy	36.8
CC(1/2)	1.000	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Crystals were grown by the hanging drop method, mixing 2 ul of the SPOP MATH S119A at 20 mg/ml 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 0.2 M (NH4)2SO4, 0.1 M BIS-Tris, pH 6.5, 25% (w/v) PEG 3,350).