1KEA

STRUCTURE OF A THERMOSTABLE THYMINE-DNA GLYCOSYLASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	200
Detector technology	CCD
Collection date	1998-07-28
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	68.215, 68.215, 98.944
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.000
R-factor	0.211
Rwork	0.211
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011 *
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.066 *
Total number of observations	209829 *
Number of reflections	16125
Completeness [%]	99.0	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	298	ammonium sulfate, zinc acetate, hepes, pH 8.0, EVAPORATION, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	HEPES-NaOH	10 (mM)	pH7.5
3	1	drop		100 (mM)
4	1	reservoir	ammonium sulfate	60 (%sat)
5	1	reservoir	HEPES	100 (mM)	pH8.0
6	1	reservoir	zinc acetate	10 (mM)
7	1	reservoir	dithiothreitol	2 (mM)