9P51

Crystal structure of MLH1-CTD with CHDI-00915848

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033167
Spacegroup name	P 21 21 2
Unit cell lengths	61.060, 225.570, 44.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.745 - 2.250
Rwork	0.199
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.924
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.000	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.114	2.302
Rpim	0.048	0.933
Number of reflections	29972	2179
<I/σ(I)>	9.8	0.8
Completeness [%]	99.9	100
Redundancy	6.6
CC(1/2)	0.999	0.345

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	25% PEG 8K, 200 mM sodium acetate, 85 mM sodium cacodylate pH 6.5 and 12% glycerol