3LLC

Crystal structure of Putative hydrolase (YP_002548124.1) from Agrobacterium vitis S4 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	2009-11-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97949,0.97934
Spacegroup name	P 41 21 2
Unit cell lengths	112.652, 112.652, 59.497
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.763 - 1.800
R-factor	0.161
Rwork	0.160
R-free	0.18500
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.436
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]	28.763	28.763	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.063	0.032	0.706
Number of reflections	35908	6786	6124
<I/σ(I)>	12.12	30.7	2
Completeness [%]	99.3	99.1	96.5
Redundancy	7.107

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277	0.2000M NaCl, 20.0000% PEG-3350, No Buffer pH 6.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K