5JXP

Crystal structure of Porphyromonas endodontalis DPP11 in alternate conformation

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	2015-06-26
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	C 1 2 1
Unit cell lengths	88.022, 103.990, 111.392
Unit cell angles	90.00, 104.94, 90.00

Refinement procedure

Resolution	43.573 - 2.500
R-factor	0.2023
Rwork	0.200
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.680
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	107.628	46.818	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge		0.036	0.674
Rmeas	0.116	0.043	0.807
Rpim	0.063	0.024	0.438
Total number of observations	102542	3206	14716
Number of reflections	33283
<I/σ(I)>	9.2	29	1.5
Completeness [%]	99.0	95.8	99.6
Redundancy	3.1	3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Calcium acetate, 15% w/v PEG 4000, 0.1 M Sodium acetate pH 5.0.