7N02

X-ray crystallographic structure model of Lactococcus lactis prolidase mutant D36S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.5215
Spacegroup name	P 21 21 21
Unit cell lengths	83.120, 87.270, 119.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.635 - 2.350
R-factor	0.2152
Rwork	0.212
R-free	0.26990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zng
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.640	2.470
High resolution limit [Å]	2.350	2.350
Number of reflections	36748	3603
<I/σ(I)>	11.8
Completeness [%]	99.7	99.5
Redundancy	6.1	6.48
CC(1/2)	0.998	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.1 M calcium acetate, 0.1 M Bis-Tris propane, 12-15% w/v PEG4000