6JTB

Crystal structure of dipeptidyl peptidase 11 (DPP11) with citrate 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	2014-11-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	99.130, 103.350, 176.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.560 - 1.500
R-factor	0.17142
Rwork	0.170
R-free	0.19418
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y04
RMSD bond length	0.013
RMSD bond angle	1.772
Data reduction software	xia2 (0.5.576)
Data scaling software	DIALS (1.10.0)
Phasing software	REFMAC (5.8.0238)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.560	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.049	0.674
Rmeas	0.053	0.764
Rpim	0.020	0.352
Number of reflections	144097	7050
<I/σ(I)>	17.7	2.1
Completeness [%]	99.9	98.3
Redundancy	6.5	4.4
CC(1/2)	0.999	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	8.5	293	20 % (m/v) PEG 8000, 0.2 M tri-potassium citrate, microgravity environment in the Kibo, ISS