8R7C

MutSbeta bound to compound CHDI-00915542 in the canonical DNA-mismatch bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9999
Spacegroup name	P 1
Unit cell lengths	101.222, 104.789, 121.263
Unit cell angles	110.03, 91.20, 110.50

Refinement procedure

Resolution	112.460 - 2.820
Rwork	0.201
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.304
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]	112.460	3.120
High resolution limit [Å]	2.820	2.820
Rmerge	0.058	0.514
Rmeas	0.075	0.660
Rpim	0.047	0.406
Number of reflections	73299	3665
<I/σ(I)>	5.5	1.5
Completeness [%]	92.7	59.5
Redundancy	2.3
CC(1/2)	0.985	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 MES pH 7.25; 0.2 M NH4 Acetate; 20- 25% w/v PEG 3350