6SNS

DNA mismatch repair proteins MLH1 and MLH3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	I 2 2 2
Unit cell lengths	91.860, 103.090, 135.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.130 - 2.600
R-factor	0.217
Rwork	0.215
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e4w
RMSD bond length	0.008
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.780
High resolution limit [Å]	2.600	2.600
Rmerge	0.051	1.470
Rmeas	0.056	1.600
Rpim	0.022	0.613
Number of reflections	13501	675
<I/σ(I)>	16	1.3
Completeness [%]	95.0
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	PEG4000