6H2Q

Crystal Structure of Arg184Gln mutant of Human Prolidase with Mn ions and LeuPro ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	C 2 2 21
Unit cell lengths	103.559, 106.661, 217.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.748 - 1.780
R-factor	0.1536
Rwork	0.153
R-free	0.17940
RMSD bond length	0.006
RMSD bond angle	0.915
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.880	1.890
High resolution limit [Å]	1.780	1.780
Rmeas	0.118	1.100
Rpim	0.045	0.421
Number of reflections	776794	18252
<I/σ(I)>	13.58	1.77
Completeness [%]	99.8	99.3
Redundancy	6.77	6.82
CC(1/2)	0.999	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293	100mM NaCacodylate, 690-760mM NaCitrate