6CMN

Co-Crystal Structure of HIV-1 TAR Bound to Lab-Evolved RRM TBP6.7

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	2016-07-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	40.422, 40.422, 284.558
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.187 - 1.796
R-factor	0.1907
Rwork	0.189
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1urn
RMSD bond length	0.005
RMSD bond angle	0.759
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.900	1.830
High resolution limit [Å]	1.796	1.800
Number of reflections	23297	2140
<I/σ(I)>	19.9	1.8
Completeness [%]	99.4	91.8
Redundancy	8.8	7.9
CC(1/2)	0.987	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293.15	NaCl, ammonium sulfate, PEG-mme 5000