6O9E

Structure of HIV-1 Reverse Transcriptase in complex with DNA and INDOPY-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	89.762, 127.663, 131.610
Unit cell angles	90.00, 101.50, 90.00

Refinement procedure

Resolution	50.000 - 2.400
R-factor	0.2037
Rwork	0.203
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d3g
RMSD bond length	0.002
RMSD bond angle	0.489
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.162	6.118
Rmeas	0.171	6.450
Rpim	0.055	2.035
Number of reflections	113545	5622
<I/σ(I)>	11.6	0.8
Completeness [%]	100.0	100
Redundancy	19	19.5
CC(1/2)	0.994	0.311

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	277	10-12% PEG 8000, 50 MM BISTRIS-PROPANE PH 7.2, 50 MM AMMONIUM SULFATE, 5% GLYCEROL, 5% SUCROSE