3KTB

Crystal Structure of Arsenical Resistance Operon Trans-acting Repressor from Bacteroides vulgatus ATCC 8482

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-21
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97915
Spacegroup name	I 4
Unit cell lengths	115.911, 115.911, 83.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.320 - 2.100
R-factor	0.175
Rwork	0.172
R-free	0.21900
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.396
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	32349
<I/σ(I)>	15.7	2.47
Completeness [%]	99.9	100
Redundancy	9.4	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.2M Ca(OAc)2 0.1 M MES pH 6.5 20% (w/v) PEG-8000, VAPOR DIFFUSION, SITTING DROP, temperature 277K