5MRU

TetR(class A) in complex with 5a,6-anhydrotetracycline and magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-01
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54178
Spacegroup name	P 41 21 2
Unit cell lengths	65.669, 65.669, 98.556
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.650 - 2.550
R-factor	0.23241
Rwork	0.228
R-free	0.27132
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vpr
RMSD bond length	0.013
RMSD bond angle	1.555
Data reduction software	XDS (November 3, 2014)
Data scaling software	XDS (November 3, 2014)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.650	2.660
High resolution limit [Å]	2.505	2.505
Rmerge	0.128	1.120
Number of reflections	7877
<I/σ(I)>	12.37	1.02
Completeness [%]	98.2	93.3
Redundancy	4.8	2.9
CC(1/2)	0.998	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2uL complex [10uL TetR(A) with 39.6 mg/ml TetR(A) + 50uL anTC (2mM in 200mM NaCl) + 0.25uL MgCl2 (3M) + 40uL H2O] + Reservoir 1uL (0.026mM (NH4)H2HPO4)