5JXK

Crystal structure of Porphyromonas endodontalis DPP11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-31
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 21 21 21
Unit cell lengths	76.752, 91.831, 229.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.697 - 2.850
R-factor	0.2417
Rwork	0.240
R-free	0.27340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.741
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]	114.959	46.697	3.000
High resolution limit [Å]	2.850	9.010	2.850
Rmerge		0.056	1.118
Rmeas	0.245	0.061	1.213
Rpim	0.094	0.024	0.468
Total number of observations	257565	8873	36813
Number of reflections	38861
<I/σ(I)>	7.5	26.2	1.7
Completeness [%]	100.0	99.3	100
Redundancy	6.6	6.4	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris-HCl pH 7.5, 15 % PEG 6000