1OH5

THE CRYSTAL STRUCTURE OF E. COLI MUTS BINDING TO DNA WITH A C:A MISMATCH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	89.913, 91.887, 261.173
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.900
R-factor	0.228
Rwork	0.224
R-free	0.29300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e3m
RMSD bond length	0.010
RMSD bond angle	1.293
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000 *	3.030
High resolution limit [Å]	2.900	2.900
Rmerge	0.095	0.760
Total number of observations	454107 *
Number of reflections	48834 *
<I/σ(I)>	12.21	1.97
Completeness [%]	95.4 *	93.8 *
Redundancy	9.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *		12-14 % PEG 6000, 150-300 MM NACL 25 MM HEPES PH 7-8, 10 MM MGCL2, 100-150 MICROM ADP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	11-14 (%)
2	1	reservoir		350-750 (mM)
3	1	reservoir		10 (mM)
4	1	reservoir	HEPES	25 (mM)	pH7.5
5	1	drop	protein	14 (mg/ml)