5JWF

Crystal structure of Porphyromonas gingivalis DPP11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.953
Spacegroup name	P 21 21 21
Unit cell lengths	103.181, 117.216, 148.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.563 - 2.400
R-factor	0.2102
Rwork	0.208
R-free	0.25950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.680
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]	91.972	45.563	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.026	1.224
Number of reflections	91479
<I/σ(I)>	12.3	23.2	0.6
Completeness [%]	99.7	96.6	99.4
Redundancy	5.6	4.9	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		275	0.12M Alcohols, Buffer system 3 pH 8.5, 40% v/v Glycerol, 20% w/v PEG 4000