2O5F

Crystal Structure of DR0079 from Deinococcus radiodurans at 1.9 Angstrom Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-22
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	C 2 2 21
Unit cell lengths	34.019, 156.554, 126.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - 1.900
Rwork	0.234
R-free	0.26740
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.241
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	27095
<I/σ(I)>	49.57	8.45
Completeness [%]	99.4	97.8
Redundancy	6.3	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	1) 30% PEG 4000, 0.1M sodium citrate, pH 5.6, 0.2M ammonium acetate, or 2) 30% PEG 4000, 0.1 M Tris-HCl, pH 8.5, 0.2 M lithium sulfate , VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP		295	1) 30% PEG 4000, 0.1M sodium citrate, pH 5.6, 0.2M ammonium acetate, or 2) 30% PEG 4000, 0.1 M Tris-HCl, pH 8.5, 0.2 M lithium sulfate , VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP		295	1) 30% PEG 4000, 0.1M sodium citrate, pH 5.6, 0.2M ammonium acetate, or 2) 30% PEG 4000, 0.1 M Tris-HCl, pH 8.5, 0.2 M lithium sulfate , VAPOR DIFFUSION, HANGING DROP, temperature 295K