6H2P

Crystal Structure of Arg184Gln mutant of Human Prolidase with Mn ions and Cacodylate 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, 1.8932
Spacegroup name	C 2 2 21
Unit cell lengths	103.453, 107.075, 216.543
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.991 - 1.479
R-factor	0.1482
Rwork	0.148
R-free	0.17040
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5mby
RMSD bond length	0.015
RMSD bond angle	1.611
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.991	1.570
High resolution limit [Å]	1.479	1.479
Rmeas	0.127	1.509
Rpim	0.050	0.593
Number of reflections	198755	31784
<I/σ(I)>	10.76	1.25
Completeness [%]	99.8	99.4
Redundancy	5.674	6.4
CC(1/2)	0.999	0.522

Crystallization Conditions

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