8CBG

The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Arg-Gly-Leu-Leu

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-26
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	55.518, 80.997, 60.458
Unit cell angles	90.00, 113.18, 90.00

Refinement procedure

Resolution	48.220 - 3.000
R-factor	0.2314
Rwork	0.227
R-free	0.28250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.513
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]	48.220	3.180
High resolution limit [Å]	3.000	3.000
Rpim	0.086	0.808
Number of reflections	9945	978
<I/σ(I)>	6.7	1.1
Completeness [%]	100.0	100
Redundancy	4.6	4.4
CC(1/2)	0.992	0.431

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