8CB8

The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Ser-Thr-Leu-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	2019-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	47.952, 86.133, 115.217
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.890 - 2.250
R-factor	0.2269
Rwork	0.224
R-free	0.28720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hck
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]	48.000	2.330
High resolution limit [Å]	2.250	2.250
Rpim	0.106	1.797
Number of reflections	23371	2282
<I/σ(I)>	9.2	1.6
Completeness [%]	100.0	100
Redundancy	13.4	3.5
CC(1/2)	0.996	0.671

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