3LYC

Crystal structure of Putative pectinase (YP_001304412.1) from Parabacteroides distasonis ATCC 8503 at 2.30 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	2009-07-09
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97926,0.97882
Spacegroup name	P 21 21 21
Unit cell lengths	104.116, 104.606, 393.587
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.507 - 2.300
R-factor	0.246
Rwork	0.244
R-free	0.28000
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	0.770
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.507	49.507	2.380
High resolution limit [Å]	2.300	4.930	2.300
Rmerge	0.114	0.061	0.663
Number of reflections	186629	20160	16841
<I/σ(I)>	8.64	18.6	1.8
Completeness [%]	97.3	99.5	90.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	40.0000% Ethanol, 0.1170M magnesium chloride, 0.1M TRIS pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K