3KSR

CRYSTAL STRUCTURE OF A PUTATIVE SERINE HYDROLASE (XCC3885) FROM XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS AT 2.69 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-26
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 43 21 2
Unit cell lengths	56.865, 56.865, 220.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.559 - 2.690
R-factor	0.198
Rwork	0.197
R-free	0.22200
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.517
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.559	39.559	2.790
High resolution limit [Å]	2.690	5.750	2.690
Rmerge	0.054	0.026	0.693
Number of reflections	10299	1853	1642
<I/σ(I)>	17.22	42.2	1.3
Completeness [%]	94.4	93.1	83.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.64	277	1.82M di-ammonium hydrogen phosphate, 0.2M sodium chloride, 0.1M Imidazole pH 7.64, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K