3TC8

Crystal structure of a Zn-dependent exopeptidase (BDI_3547) from Parabacteroides distasonis ATCC 8503 at 1.06 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-04
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 1
Unit cell lengths	44.662, 51.277, 72.985
Unit cell angles	105.74, 99.92, 97.46

Refinement procedure

Resolution	25.382 - 1.060
R-factor	0.1126
Rwork	0.112
R-free	0.13150
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.652
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.382	25.382	1.100
High resolution limit [Å]	1.060	2.280	1.060
Rmerge	0.056	0.028	0.881
Number of reflections	252314	51826	50518
<I/σ(I)>	11.71	37	1.6
Completeness [%]	91.6	94	87.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M bicine pH 9, 30% polyethylene glycol 6000, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K