2D3Y

Crystal structure of uracil-DNA glycosylase from Thermus Thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-06-15
Detector	RIGAKU RAXIS V
Wavelength(s)	0.9797
Spacegroup name	P 21 21 21
Unit cell lengths	48.180, 62.350, 63.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.550
Rwork	0.186
R-free	0.21000
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.085	0.297
Number of reflections	27453
<I/σ(I)>	33.2	10.2
Completeness [%]	97.0	98.1
Redundancy	4.7	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M MES, 11.5% PEG3350, 0.2M Ammonium Acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M MES, 11.5% PEG3350, 0.2M Ammonium Acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M MES, 11.5% PEG3350, 0.2M Ammonium Acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K