6TRX

Crystal structure of DPP8 in complex with 1G244

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.00000
Spacegroup name	C 2 2 21
Unit cell lengths	163.963, 246.288, 261.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.380 - 3.200
R-factor	0.1989
Rwork	0.197
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eoo
RMSD bond length	0.007
RMSD bond angle	1.184
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.380	44.380	3.280
High resolution limit [Å]	3.200	28.800	3.200
Rmerge	0.146	0.026	1.410
Rmeas	0.156	0.028	1.500
Total number of observations	726516
Number of reflections	87206	105	6408
<I/σ(I)>	14.51	59.6	2.05
Completeness [%]	99.9	69.5	100
Redundancy	8.331	6.81	8.56
CC(1/2)	0.998	1.000	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.75	277	0.46 M Na citrate pH 6.75