3NPF

Crystal structure of a putative dipeptidyl-peptidase VI (BACOVA_00612) from Bacteroides ovatus at 1.72 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-13
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	60.136, 62.495, 156.809
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.870 - 1.720
R-factor	0.1424
Rwork	0.141
R-free	0.17120
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.458
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.870	48.870	1.780
High resolution limit [Å]	1.720	3.700	1.720
Rmerge	0.125	0.057	0.797
Number of reflections	63712	6761	6138
<I/σ(I)>	11.06	27.4	2.2
Completeness [%]	100.0	99.8	100
Redundancy	6.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	15.000000000% Glycerol, 0.170000000M NaOAc, 25.500000000% PEG-4000, 0.1M TRIS pH 8.5, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K