6SY6

TetR in complex with the TetR-binding RNA-aptamer K2

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	PIXEL
Collection date	2019-05-17
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 31 2 1
Unit cell lengths	96.564, 96.564, 119.971
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	16.110 - 2.900
R-factor	0.2497
Rwork	0.248
R-free	0.28820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ns7
RMSD bond length	0.004
RMSD bond angle	0.697
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.110	3.003
High resolution limit [Å]	2.900	2.900
Rmerge	0.814	5.662
Rmeas	0.835	5.799
Rpim	0.184	1.248
Number of reflections	14683	1443
<I/σ(I)>	4.6	0.47
Completeness [%]	99.2	100
Redundancy	20.3	21.4
CC(1/2)	0.975	0.241

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	15 % (v/v) pentaerythritol propoxylate (5/4 PO/OH), 0.2 M NaCl, pH 6.0, 0.1 M MES-NaOH