4PV4

Proline aminopeptidase P II from Yersinia pestis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-26
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	124.299, 82.865, 110.091
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.400 - 1.760
R-factor	0.1615
Rwork	0.160
R-free	0.19770
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.686
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.400	50.000	1.810
High resolution limit [Å]	1.760	4.830	1.780
Rmerge	0.092	0.050	0.816
Number of reflections	110591
<I/σ(I)>	11.7		1.98
Completeness [%]	99.7	98.5	99.8
Redundancy	5.4	5.3	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.1 M Bis-Tris-HCl buffer, 25% PEG 3350, 5 mM proline, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K