2XGC

Crystal structure of a designed heterodimeric variant T-A(I)B of the tetracycline repressor

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
Detector	RAYONIX
Spacegroup name	I 41 2 2
Unit cell lengths	69.152, 69.152, 183.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.590 - 2.150
R-factor	0.22121
Rwork	0.217
R-free	0.27056
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a6i
RMSD bond length	0.013
RMSD bond angle	1.402
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.280
High resolution limit [Å]	2.150	2.150
Rmerge	0.060	0.630
Number of reflections	12563
<I/σ(I)>	29.1	4.6
Completeness [%]	99.9	99.9
Redundancy	14.2	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1