3CNH

Crystal structure of predicted hydrolase of haloacid dehalogenase-like superfamily (NP_295428.1) from Deinococcus radiodurans at 1.66 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97922, 0.97908
Spacegroup name	P 41 21 2
Unit cell lengths	74.108, 74.108, 160.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.355 - 1.660
R-factor	0.161
Rwork	0.160
R-free	0.18700
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.669
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.355	35.355	1.720
High resolution limit [Å]	1.660	3.570	1.660
Rmerge	0.055	0.031	0.716
Number of reflections	53836	5780	5323
<I/σ(I)>	17.74	41.5	2.1
Completeness [%]	99.8	99	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	NANODROP, 0.2M NaCl, 20.0% PEG 8000, 0.1M Phosphate citrate pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K