6XH2

Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM 6.6

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	2017-05-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	40.300, 40.300, 288.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.815 - 1.710
R-factor	0.1926
Rwork	0.191
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cmn
RMSD bond length	0.010
RMSD bond angle	1.251
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.910	1.740
High resolution limit [Å]	1.710	1.710
Rpim	0.033	0.385
Number of reflections	26782	1245
<I/σ(I)>	10.7	1.5
Completeness [%]	99.2
Redundancy	8.2
CC(1/2)	0.994	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	0.05 M Sodium Cacodylate pH 7.0, 0.1 M Sodium Chloride, 0.002 M Ammonium Sulfate, 17% (w/v) PEG-5000 MME