5JXF

Crystal structure of Flavobacterium psychrophilum DPP11 in complex with dipeptide Arg-Asp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.965
Spacegroup name	P 1 21 1
Unit cell lengths	126.051, 70.689, 191.598
Unit cell angles	90.00, 97.26, 90.00

Refinement procedure

Resolution	46.831 - 2.100
R-factor	0.1984
Rwork	0.196
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3woj
RMSD bond length	0.009
RMSD bond angle	1.149
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	190.061	46.831	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.026	0.666
Number of reflections	193418
<I/σ(I)>	12.1	20.4	1.2
Completeness [%]	98.9	97.2	99.6
Redundancy	3.2	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M NaBr, 0.1 M Bistris propane, pH 7.5, 20% PEG 3350