8B4E

ToxR bacterial transcriptional regulator bound to 25 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	2015-07-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	83.669, 162.366, 86.628
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.180 - 3.250
R-factor	0.2273
Rwork	0.226
R-free	0.25640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB in deposition
RMSD bond length	0.012
RMSD bond angle	1.423
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20rc4_4425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.180	3.360
High resolution limit [Å]	3.250	3.250
Rmerge	0.067	0.533
Number of reflections	9545	889
<I/σ(I)>	13.02
Completeness [%]	99.2
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% PEG 4000, 0.3 M ammonium sulfate