8CBP

The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Thr-Glu-Pro-Leu

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	56.194, 81.390, 60.630
Unit cell angles	90.00, 112.28, 90.00

Refinement procedure

Resolution	48.360 - 2.700
R-factor	0.245
Rwork	0.242
R-free	0.29610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hck
RMSD bond length	0.002
RMSD bond angle	0.499
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]	48.400	2.830
High resolution limit [Å]	2.700	2.700
Rpim	0.047	0.782
Number of reflections	13994	1389
<I/σ(I)>	10.5	1.2
Completeness [%]	99.7	97.6
Redundancy	3.9
CC(1/2)	0.997	0.767

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