39JO

X-ray crystallographic structure model of Lactococcus lactis prolidase mutant Del101

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-07-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.954
Spacegroup name	I 21 21 21
Unit cell lengths	83.290, 84.130, 131.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.050 - 1.750
R-factor	0.162
Rwork	0.161
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.728
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.050	1.800
High resolution limit [Å]	1.750	1.750
Number of reflections	88018	3142
<I/σ(I)>	10.6	1.07
Completeness [%]	97.3
Redundancy	6.9
CC(1/2)	0.990	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1 M calcium acetate, 0.1 M Bis-Tris propane, 15-20% w/v PEG4000