5BS6

Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI

Replaces:  2FB1

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	2005-10-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	H 3
Unit cell lengths	176.437, 176.437, 118.426
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.380 - 2.350
R-factor	0.1973
Rwork	0.195
R-free	0.23300
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.231
Data reduction software	HKL-2000
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	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.117	0.116	0.831
Total number of observations	211562
Number of reflections	56682
<I/σ(I)>	9.6
Completeness [%]	99.7	99.5	98.1
Redundancy	3.7	3.9	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	289	0.4 M sodium di-hydrogen phosphate/1.6M di-potassium hydrogen phosphate, 0.2 M sodum chloride, 0.1 M Tris