7A3F

Crystal structure of apo DPP9

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	2019-08-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	95.170, 95.310, 127.196
Unit cell angles	86.56, 102.54, 102.44

Refinement procedure

Resolution	46.890 - 2.900
R-factor	0.2264
Rwork	0.223
R-free	0.29000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eor
RMSD bond length	0.003
RMSD bond angle	1.272
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.890	46.890	2.970
High resolution limit [Å]	2.900	26.100	2.900
Rmerge	0.087	0.020	0.491
Rmeas	0.115	0.026	0.645
Total number of observations	207713
Number of reflections	92941	107	6869
<I/σ(I)>	7.24	22.3	2.06
Completeness [%]	98.4	82.3	98.1
Redundancy	2.235	2.112	2.299
CC(1/2)	0.991	0.999	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.08 M Na-Cacodilate pH 5.25, 0.16 M Ca-Acetate, 30 % Glycerol, 10 % PEG 8K