8R7E

MutSbeta bound to compound CHDI-00898647 in the canonical DNA-mismatch bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-24
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	100.473, 104.096, 122.016
Unit cell angles	109.33, 91.81, 109.50

Refinement procedure

Resolution	113.659 - 2.783
Rwork	0.223
R-free	0.26570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.297
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	113.659	3.008
High resolution limit [Å]	2.783	2.783
Rmerge	0.071	0.888
Rpim	0.062	0.643
Number of reflections	79309	3965
<I/σ(I)>	9	1.5
Completeness [%]	92.0	57.7
Redundancy	2.3	2.8
CC(1/2)	0.980	0.353

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 MES pH 6.5; 0.2 M NH4 Acetate; 20-25 % w/v PEG 3350