8CB4

The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tripeptide Leu-Leu-Leu

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.8731
Spacegroup name	P 21 21 21
Unit cell lengths	48.099, 86.785, 115.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.420 - 2.570
R-factor	0.2113
Rwork	0.208
R-free	0.27650
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.100	2.660
High resolution limit [Å]	2.570	2.570
Rpim	0.099	0.927
Number of reflections	15932	1521
<I/σ(I)>	8	1
Completeness [%]	99.4
Redundancy	4.6
CC(1/2)	0.990	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	Protein: 3.1-6.6 mg mL-1, 20 mM NaP pH 6.5, 200 mM NaCl was mixed with peptides (0.5-2.5% DMSO, 1-4 mM DTT) in ratio 1:10. Well solution: 100 mM Nacitrate pH 5.1-5.7, 16-26% PEG4000. Dropsize 1:1 microL Cryoprotection: 35% PEG4000