6QSB

Crystal Structure of Arg470His mutant of Human Prolidase with Mn ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-05
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9180
Spacegroup name	C 2 2 21
Unit cell lengths	103.555, 108.533, 211.804
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.366 - 1.990
R-factor	0.1891
Rwork	0.188
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m4q
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.110
High resolution limit [Å]	1.990	1.990
Rmerge	0.340	2.842
Rmeas	0.368	3.067
Number of reflections	81795	12976
<I/σ(I)>	5.43	0.63
Completeness [%]	99.7	99
Redundancy	6.87	7.01
CC(1/2)	0.988	0.235

Crystallization Conditions

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