2P11

CRYSTAL STRUCTURE OF A PUTATIVE HALOACID DEHALOGENASE-LIKE HYDROLASE (BXE_B1342) FROM BURKHOLDERIA XENOVORANS LB400 AT 2.20 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.94642, 0.97925, 0.97902
Spacegroup name	C 1 2 1
Unit cell lengths	80.390, 68.080, 88.240
Unit cell angles	90.00, 112.22, 90.00

Refinement procedure

Resolution	28.341 - 2.200
R-factor	0.203
Rwork	0.201
R-free	0.24700
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.412
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.341		2.270
High resolution limit [Å]	2.200	3.740	2.200
Rmerge	0.035	0.019	0.290
Number of reflections	22404
<I/σ(I)>	13.88	31.4	2.8
Completeness [%]	94.2	99	76.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	NANODROP, 25.0% Glycerol, 0.6M KH2PO4, 0.6M NaH2PO4, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K