7P5R

Racemic protein crystal structure of lacticin Q from Lactococcus lactis

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-16
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.8156
Spacegroup name	P 1
Unit cell lengths	24.210, 27.830, 70.450
Unit cell angles	95.03, 90.43, 115.41

Refinement procedure

Resolution	35.050 - 0.960
Rwork	0.182
R-free	0.20530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ideal helix fragments
RMSD bond length	0.011
RMSD bond angle	1.817
Data reduction software	XDS
Data scaling software	Aimless (1.11.21)
Phasing software	Fragon (0.2.6)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.050	0.980
High resolution limit [Å]	0.960	0.960
Number of reflections	93924	4211
<I/σ(I)>	11.3	1
Completeness [%]	93.0	84.2
Redundancy	3.5
CC(1/2)	0.999	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	A racemic mixture of L-lacticin Q and D-lacticin Q at 27 mg/mL concentration was mixed 1:1 with 4.0M sodium formate precipitant condition pH 7.0 in a 1 microlitre sitting drop. Crystals were submerged in 2.0M Lithium sulfate cryoprotectant and flash frozen in liquid nitrogen during harvesting.