2IMR

Crystal structure of amidohydrolase DR_0824 from Deinococcus radiodurans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-12
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	113.830, 71.300, 51.340
Unit cell angles	90.00, 115.20, 90.00

Refinement procedure

Resolution	29.300 - 1.780
R-factor	0.211
Rwork	0.201
R-free	0.23000
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.310
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE (& SHARP)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.300	1.840
High resolution limit [Å]	1.780	1.780
Rmerge	0.048	0.364
Number of reflections	33833
<I/σ(I)>	19.2
Completeness [%]	95.3	64.7
Redundancy	5.9	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	30% PEG MME 500, 0.1M Bis-Tris, 0.05M Calcium chloride, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	30% PEG MME 500, 0.1M Bis-Tris, 0.05M Calcium chloride, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K