3FK6

Crystal structure of TetR triple mutant (H64K, S135L, S138I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-18
Detector	MAR CCD 165 mm
Wavelength(s)	0.9797
Spacegroup name	C 1 2 1
Unit cell lengths	126.350, 58.060, 62.620
Unit cell angles	90.00, 96.58, 90.00

Refinement procedure

Resolution	15.000 - 2.100
Rwork	0.216
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2tct
RMSD bond length	0.005
RMSD bond angle	1.069
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.250
High resolution limit [Å]	2.100	2.100
Rmerge	0.064	0.371
Number of reflections	24749
Completeness [%]	93.3	95.9
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292	1M dipotassium hydrogen phosphate, 200mM sodium chloride, 50mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K