5DD4

Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97934
Spacegroup name	I 21 3
Unit cell lengths	123.735, 123.735, 123.735
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.160 - 2.560
R-factor	0.1847
Rwork	0.183
R-free	0.22190
RMSD bond length	0.009
RMSD bond angle	1.311
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.580
High resolution limit [Å]	2.560	8.740	2.560
Rmerge	0.114	0.074	0.992
Total number of observations	111364
Number of reflections	10292
<I/σ(I)>	10.8
Completeness [%]	99.9	97.5	100
Redundancy	10.8	9.5	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	2.1M Malic Acid