6JTC

Crystal structure of dipeptidyl peptidase 11 (DPP11) with SH-5 from Porphyromonas gingivalis (Space)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	102.337, 116.960, 148.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.650 - 2.390
R-factor	0.20477
Rwork	0.202
R-free	0.25275
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y04
RMSD bond length	0.008
RMSD bond angle	1.560
Data reduction software	xia2 (0.5.576)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	116.940	2.430
High resolution limit [Å]	2.390	2.390
Rmerge	0.156	1.283
Rmeas	0.169	1.380
Rpim	0.063	0.502
Number of reflections	70956	3428
<I/σ(I)>	9.2
Completeness [%]	99.8	97.8
Redundancy	6.9	7.2
CC(1/2)	0.990	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	8.5	293	19 %(m/v) PEG 8000,0.18 M magnesium formate, 0.5 mM SH-5, 5 % (v/v) DMSO