5LRR

The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with glutathione

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	2016-07-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.073
Spacegroup name	P 21 21 2
Unit cell lengths	116.265, 184.227, 100.457
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.538 - 2.171
R-factor	0.2092
Rwork	0.207
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bgc
RMSD bond length	0.003
RMSD bond angle	0.508
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]	48.538	2.250
High resolution limit [Å]	2.170	2.170
Rmerge	0.123	1.840
Number of reflections	114028
<I/σ(I)>	13.2	1.5
Completeness [%]	99.6	96.7
Redundancy	13.4	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	Prior to the crystallization setup GSH and DTT were added to the protein solution to final concentrations of 5 mM and 1 mM, respectively. Droplets of 4 microL protein solution at 3.2 mg per ml were mixed with 2 microL reservoir solution consisting of 22% PEG 4000, 100 mM sodium citrate pH 5.5. Crystals used for data collection were obtained after 48 h. Prior to vitrification crystals were equilibrated for 24 h in a solution containing 30% PEG 4000, 100 mM sodium citrate pH 5.5 and 50 mM GSH.