6HCK

The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with dipeptide 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	2018-06-10
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	47.948, 87.394, 116.883
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.361 - 2.700
R-factor	0.2117
Rwork	0.209
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eut
RMSD bond length	0.003
RMSD bond angle	0.676
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.400	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.237	1.702
Rpim	0.145	1.013
Number of reflections	13956	1357
<I/σ(I)>	4.9	0.6
Completeness [%]	99.6	99.6
Redundancy	6.9	7.2
CC(1/2)	0.760	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	291	PrfA was co-crystallized with LL (5 mol excess of the dipeptide). Crystals grew in 5 days after 4 microL of the protein solution (3.5 mg per ml PrfA, 200 mM NaCl, 20 mM NaP buffer, pH 6.5) was mixed with 2 microL of precipitant solution containing 20% PEG-4000, 17% isopropanol, 100 mM Na citrate pH 5.2 and allowed to equilibrate over a 1 ml solution of the precipitant in a Linbro plate. Before data collection, the crystals were transferred to a cryo-protectant solution including 16% glycerol in the precipitant solution.