3PVQ

Crystal structure of a putative dipeptidyl-peptidase VI (BT_1314) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537,0.9796
Spacegroup name	P 1 21 1
Unit cell lengths	64.919, 50.295, 107.562
Unit cell angles	90.00, 93.50, 90.00

Refinement procedure

Resolution	29.159 - 2.100
R-factor	0.1664
Rwork	0.165
R-free	0.19820
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.159		2.170
High resolution limit [Å]	2.100	4.510	2.100
Rmerge	0.086	0.027	0.374
Number of reflections	40250	7701	6398
<I/σ(I)>	6.89	18.8	1.5
Completeness [%]	91.0	96.1	86.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20.0% Glycerol, 0.04M KH2PO4, 16.0% PEG-8000, No Buffer pH None, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K