2NS7

How an in vitro selected peptide mimics the antibiotic tetracycline to induce TET 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
Collection date	2004-12-22
Detector	MAR CCD 165 mm
Wavelength(s)	0.946452
Spacegroup name	P 61 2 2
Unit cell lengths	107.910, 107.910, 303.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.040 - 2.400
R-factor	0.234
Rwork	0.230
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2NS8 (Chain A+B)
RMSD bond length	0.010
RMSD bond angle	1.202
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.040		2.450
High resolution limit [Å]	2.400	4.800	2.400
Rmerge	0.061	0.051	0.472
Number of reflections	41266
<I/σ(I)>	28.43	60.9	4.9
Completeness [%]	98.4	98.9	98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	1.4M ammonium sulfate, 0.1M sodium chloride, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K