5JWG

Crystal structure of Porphyromonas endodontalis DPP11 in complex with dipeptide Arg-Asp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.008
Spacegroup name	P 21 21 21
Unit cell lengths	111.810, 114.403, 147.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.237 - 2.200
R-factor	0.1838
Rwork	0.181
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.141
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]	90.473	45.237	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.028	0.744
Number of reflections	96263
<I/σ(I)>	14.9	16.8	1
Completeness [%]	99.6	98.7	99.1
Redundancy	4.7	4.3	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.12 M Ethylene glycols, 0.1 M Buffer system 3 pH 8.5, 40% v/v Ethylene glycol, 20% w/v PEG 8000