3HIM

The Crystal Structure of a Bacterial Regulatory Protein in the tetR Family from Rhodococcus RHA1 to 2.2A

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	2006-03-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97935
Spacegroup name	P 21 21 21
Unit cell lengths	62.053, 63.042, 94.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.100 - 2.200
R-factor	0.2
Rwork	0.197
R-free	0.24800
RMSD bond length	0.012
RMSD bond angle	1.182
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC (refmac_5.5.0054)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.082	0.060	0.346
Number of reflections	22502
<I/σ(I)>	5.3
Completeness [%]	98.2	97.1	86.7
Redundancy	4.6	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	298	30% PEG 4000, 0.2M Ammonium acetate, 0.1M Sodium citrate pH 5.6, vapor diffusion, temperature 298K