1KQJ

Crystal Structure of a Mutant of MutY Catalytic Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-05-07
Detector	MARRESEARCH
Wavelength(s)	1.1000
Spacegroup name	C 1 2 1
Unit cell lengths	83.550, 49.900, 71.010
Unit cell angles	90.00, 122.56, 90.00

Refinement procedure

Resolution	50.000 * - 1.700
R-factor	0.191 *
Rwork	0.191
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1muy
RMSD bond length	0.006
RMSD bond angle	19.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.086 *	0.505 *
Total number of observations	117089 *
Number of reflections	27245	2691 *
<I/σ(I)>	17.6	2.6
Completeness [%]	99.9	99.4
Redundancy	4.3	4.05

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5 *	16 *	ammonium sulfate, tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.060 (mM)
2	1	reservoir	ammonium sulfate	1.6-1.8 (M)
3	1	reservoir	Tris-HCl	100 (mM)	pH8.5