5F1R

The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (C10)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.914
Spacegroup name	P 1 21 1
Unit cell lengths	56.340, 80.970, 62.340
Unit cell angles	90.00, 112.54, 90.00

Refinement procedure

Resolution	57.578 - 2.250
R-factor	0.2029
Rwork	0.198
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2beo
RMSD bond length	0.014
RMSD bond angle	1.463
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.580	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.058	0.985
Number of reflections	24400
<I/σ(I)>	12.1	1.6
Completeness [%]	99.2	97.9
Redundancy	5.6	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	PrfA was co-crystallized with complex 1 (5 mol excess). Crystals grew in 5 days after 1 microL of the protein solution (3.5 mg per ml PrfA, 200 mM NaCl, 20 mM NaP buffer, pH 6.5) was mixed with an equal volume of precipitant solution containing 20% PEG-4000, 16% isopropanol, 100 mM Na citrate pH 5.5 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.