1WB9

Crystal Structure of E. coli DNA Mismatch Repair enzyme MutS, E38T mutant, in complex with a G.T mismatch

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-01
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	89.650, 92.116, 260.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.19
Rwork	0.189
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e3m
RMSD bond length	0.014
RMSD bond angle	1.421
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.070	0.490
Number of reflections	121248
<I/σ(I)>	14.46	1.52
Completeness [%]	91.7	47
Redundancy	3.05	1.88

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		25 MM HEPES(7.5), 300 MM NACL, 10 MM MGCL2, 14 % PEG 6000., pH 7.50