1OH7

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-09-15
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	89.413, 91.810, 260.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.600 *
R-factor	0.229
Rwork	0.228
R-free	0.27700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e3m
RMSD bond length	0.014
RMSD bond angle	1.488 *
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 *	2.590
High resolution limit [Å]	2.600 *	2.600 *
Rmerge	0.104	0.628
Total number of observations	382803 *
Number of reflections	75563 *
<I/σ(I)>	8.7	1.08
Completeness [%]	91.2	60.5
Redundancy	5.5	2.2

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)