5FRX

crystal structure of the phenol-responsive sensory domain of the transcription activator PoxR in complex with 4-nitrophenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	287
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	46.241, 70.470, 105.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.290 - 2.400
R-factor	0.2146
Rwork	0.206
R-free	0.28840
Structure solution method	MIR
Starting model (for MR)	NONE
RMSD bond length	0.008
RMSD bond angle	1.037
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.160	0.976
Number of reflections	19340
<I/σ(I)>	46.79	2.46
Completeness [%]	99.7	100
Redundancy	13.5	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.18 M potassium chloride, 0.01 M magnesium sulfate heptahydrate, 0.05 M MES monohydrate (pH 5.6)