7A6G

Structural characterization of L-proline amide hydrolase from Pseudomonas syringae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	49.428, 65.033, 85.016
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.731 - 1.950
R-factor	0.1597
Rwork	0.156
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wmr
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.731	42.730	2.000
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.171	0.087	0.996
Rmeas	0.191	0.098	1.107
Rpim	0.083	0.044	0.476
Number of reflections	20614	261	1438
<I/σ(I)>	7.2
Completeness [%]	99.8	98.7	99.9
Redundancy	5.1	4.2	5.1
CC(1/2)	0.991	0.992	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	HR1#28: 0.2 M Sodium acetate trihydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8,000