1OH6

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-09-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	89.489, 91.810, 260.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.400
R-factor	0.206
Rwork	0.205
R-free	0.25200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e3m
RMSD bond length	0.012
RMSD bond angle	1.362
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 *	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.089	0.614
Total number of observations	565453 *
Number of reflections	84338 *
<I/σ(I)>	12.6	1.58
Completeness [%]	98.4	86.1
Redundancy	6.7	2.8

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)