9P5C

Crystal structure of MLH1-CTD with CHDI-00916630

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03322
Spacegroup name	P 21 21 21
Unit cell lengths	61.620, 69.470, 135.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.792 - 1.930
Rwork	0.172
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.311
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.082	1.181
Rpim	0.044	0.169
Number of reflections	43910	3218
<I/σ(I)>	9.6	1.4
Completeness [%]	99.0	99.7
Redundancy	4.2
CC(1/2)	0.997	0.390

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