6XH0

Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.9

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	2018-06-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	40.494, 40.494, 286.401
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.966 - 3.100
R-factor	0.2339
Rwork	0.228
R-free	0.28810
Structure solution method	FOURIER SYNTHESIS
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	Aimless (0.7.1 : 27/03/18)
Refinement software	PHENIX (1.15_3448)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.970	3.310
High resolution limit [Å]	3.100	3.100
Rpim	0.071	0.447
Number of reflections	4920	858
<I/σ(I)>	8.2	1.6
Completeness [%]	99.7	100
Redundancy	11.5	12.1
CC(1/2)	0.998	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	17.5% PEG 4000, 0.05 M MES Monohydrate pH 6.0, 0.005 M MgCl2(H20)6