2QJW

CRYSTAL STRUCTURE OF A PUTATIVE HYDROLASE OF THE ALPHA/BETA SUPERFAMILY (XCC1541) FROM XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS AT 1.35 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	2007-06-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97920
Spacegroup name	P 1 21 1
Unit cell lengths	71.800, 60.640, 74.720
Unit cell angles	90.00, 94.57, 90.00

Refinement procedure

Resolution	29.775 - 1.350
R-factor	0.184
Rwork	0.182
R-free	0.21600
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.767
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]	29.775	29.775	1.400
High resolution limit [Å]	1.350	2.910	1.350
Rmerge	0.042	0.015	0.508
Number of reflections	140150	27217	26866
<I/σ(I)>	10.76	40.8	1.5
Completeness [%]	97.4	98.6	93.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	NANODROP, 0.264M Di-ammonium tartrate, 15.8% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K