5YFB

Crystal structure of a new DPP III family member

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	207.208, 84.630, 90.220
Unit cell angles	90.00, 108.46, 90.00

Refinement procedure

Resolution	98.270 - 2.200
R-factor	0.1903
Rwork	0.187
R-free	0.24840
RMSD bond length	0.018
RMSD bond angle	1.827
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.9)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	98.270	98.270	2.250
High resolution limit [Å]	2.200	11.000	2.200
Rmerge	0.057	0.048	0.129
Rmeas	0.062	0.052	0.140
Rpim	0.024	0.019	0.053
Total number of observations	472137
Number of reflections	73866	650	4422
<I/σ(I)>	14.6
Completeness [%]	98.4	99.9	98.8
Redundancy	6.4	6.6	6.6
CC(1/2)	0.998	0.998	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.2 M Sodium formate pH 7.0, 20% PEG 3350