6QJX

TetR(D) T103A mutant in complex with minocycline and magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-03
Detector	RAYONIX MX-225
Wavelength(s)	0.950000
Spacegroup name	I 41 2 2
Unit cell lengths	67.810, 67.810, 180.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.360 - 2.100
R-factor	0.23274
Rwork	0.228
R-free	0.28008
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2tct
RMSD bond length	0.012
RMSD bond angle	1.921
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.000	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.049	0.540
Number of reflections	11944	1928
<I/σ(I)>	20.15
Completeness [%]	93.9	95.9
Redundancy	6.85	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	Precipitant: 0.1 M MES pH 6.5, 24% PEG 400, 70 mM MgCl2. Protein: 14.55 mg/mL protein in 100mM NaCl, 50 mM Tris buffer, pH 8.0, with 2mM MinoTc, 0.38 uL 3M MgCl2. Precipitant/protein 1/4.