6QJW

TetR(D) T103A mutant in complex with 7-chlortetracycline 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	2014-10-17
Detector	RIGAKU SATURN 70
Wavelength(s)	1.5418
Spacegroup name	I 41 2 2
Unit cell lengths	68.138, 68.138, 180.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.090 - 2.100
R-factor	0.22694
Rwork	0.220
R-free	0.29024
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2tct
RMSD bond length	0.013
RMSD bond angle	1.828
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.090	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.130	0.487
Number of reflections	12896	1245
<I/σ(I)>	6.85
Completeness [%]	100.0	100
Redundancy	6.85	6.82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Precipitant: 30%PEG 400, 0.1M MES pH 6.5, 60 mM MgCl2. Protein: 12.15 mg/mL protein in 100mM NaCl, 50 mM Tris buffer, pH 8.0, 4mM 7ClTc, 3M MgCl2. Protein/precipitant 1/1