8B4C

ToxR bacterial transcriptional regulator bound to 20 bp toxT promoter DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	36.500, 54.209, 63.657
Unit cell angles	90.00, 92.58, 90.00

Refinement procedure

Resolution	63.590 - 2.070
R-factor	0.18494
Rwork	0.182
R-free	0.24107
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PhoB DNA binding domain (1GXP)
RMSD bond length	0.013
RMSD bond angle	1.729
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.590	2.140
High resolution limit [Å]	2.070	2.070
Rmerge	0.105	1.016
Number of reflections	14625	1451
<I/σ(I)>	16.32
Completeness [%]	99.8
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30% PEG 4000, 0.1 M sodium acetate pH 4, 0.15 M ammonium acetate