1T70

Crystal structure of a novel phosphatase from Deinococcus radiodurans

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]	90
Detector technology	CCD
Collection date	2003-01-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	242.793, 116.614, 89.283
Unit cell angles	90.00, 109.40, 90.00

Refinement procedure

Resolution	19.950 - 2.300
R-factor	0.2071
Rwork	0.207
R-free	0.26000
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	111.800	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	194039
Completeness [%]	94.2	58.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	298	n-hexyl beta-D glucose, PEG 4000, CAPS, Lithium Sulfate, pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K