5M4J

Crystal Structure of Wild-Type Human Prolidase with GlyPro 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	2015-06-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	C 2 2 21
Unit cell lengths	103.554, 106.942, 216.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.940 - 1.550
R-factor	0.151
Rwork	0.151
R-free	0.16800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2okn
RMSD bond length	0.006
RMSD bond angle	1.062
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX

Data quality characteristics

	Inner shell	Outer shell
Low resolution limit [Å]	47.942	1.640
High resolution limit [Å]	4.630	1.550
Rmerge	0.030	1.264
<I/σ(I)>	56.19	1.62
Completeness [%]	99.6	98.9
CC(1/2)	0.999	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	10mM NaBorate, 690-760mM NaCitrate