6XH3

Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9840
Spacegroup name	P 43 21 2
Unit cell lengths	40.602, 40.602, 291.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.117 - 2.353
R-factor	0.2158
Rwork	0.213
R-free	0.25280
Structure solution method	FOURIER SYNTHESIS
Data reduction software	XDS (Mar 15, 2019)
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX (1.15.2_3472)
Refinement software	PHENIX (1.15_3448)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.120	2.430
High resolution limit [Å]	2.350	2.350
Rpim	0.062	0.439
Number of reflections	11000	961
<I/σ(I)>	7.6	1.6
Completeness [%]	98.9	91.5
Redundancy	7.1	5.6
CC(1/2)	0.975	0.595

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	0.1 M Sodium cacodylate, 0.2 M Ammonium formate, 17.5% (w/v) PEG-3350