6OUN

Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and (-)3TC-TP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	167.011, 171.784, 105.885
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.571 - 2.656
R-factor	0.2096
Rwork	0.207
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kjv
RMSD bond length	0.005
RMSD bond angle	0.763
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.820
High resolution limit [Å]	2.656	2.656
Number of reflections	44155	6977
<I/σ(I)>	19.54	1.93
Completeness [%]	99.8	99.5
Redundancy	26.3	28.6
CC(1/2)	0.999	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	3-6% (w/v) PEG 8000, 15 mM magnesium sulfate, and 50 mM MES adjusted at pH 6.0