1KG3

Crystal structure of the core fragment of MutY from E.coli at 1.55A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-10-18
Detector	ADSC QUANTUM 4
Wavelength(s)	1.100
Spacegroup name	C 1 2 1
Unit cell lengths	84.450, 50.200, 70.500
Unit cell angles	90.00, 123.29, 90.00

Refinement procedure

Resolution	43.000 - 1.550
Rwork	0.172
R-free	0.22810
Structure solution method	difference fourier
Starting model (for MR)	1kg2
RMSD bond length	0.010
RMSD bond angle	0.026
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.000	1.580
High resolution limit [Å]	1.550	1.550
Number of reflections	35337
<I/σ(I)>	17.2
Completeness [%]	98.7	97.6
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	288	Lithium sulfate, HEPES, Sodium chloride, Magnesium sulfate. Different crystallization concentration in comparison to 1kg2., pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K