2HCF

Crystal structure of hydrolase haloacid dehalogenase-like family (np_662590.1) from Chlorobium tepidum TLS at 1.80 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	2006-06-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97915, 0.97929
Spacegroup name	P 21 21 21
Unit cell lengths	37.750, 71.590, 83.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.951 - 1.800
R-factor	0.192
Rwork	0.189
R-free	0.24700
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.366
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.951		1.860
High resolution limit [Å]	1.800	3.070	1.800
Rmerge	0.069	0.044	0.477
Number of reflections	21098
<I/σ(I)>	8.1	14.4	1.6
Completeness [%]	92.2	98.1	72.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	8.5	277	0.2M MgCl2, 30.0% PEG-4000, 0.1M TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K