5YFC

Crystal structure of a new DPP III family member

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	58.390, 207.730, 59.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.010 - 1.760
R-factor	0.1543
Rwork	0.152
R-free	0.19780
RMSD bond length	0.019
RMSD bond angle	1.991
Data reduction software	iMOSFLM
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]	59.010	59.010	1.790
High resolution limit [Å]	1.760	9.660	1.760
Rmerge	0.066	0.058	0.084
Rmeas	0.071	0.065	0.091
Rpim	0.027	0.029	0.034
Total number of observations	968571	3113	46247
Number of reflections	134694	604	6491
<I/σ(I)>	22.6	20.1	14.8
Completeness [%]	98.0	68.9	95.8
Redundancy	7.2	5.2	7.1
CC(1/2)	0.994	0.991	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.1 M Tris-HCl pH 8.5, 2.5 M Ammonium Sulfate