5HLF

STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A 38-MER HAIRPIN TEMPLATE-PRIMER DNA APTAMER AND AN ALPHA-CARBOXYPHOSPHONATE INHIBITOR

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	2015-04-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	90.060, 128.560, 132.410
Unit cell angles	90.00, 101.46, 90.00

Refinement procedure

Resolution	43.000 - 2.950
R-factor	0.2102
Rwork	0.208
R-free	0.25740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d3g
RMSD bond length	0.011
RMSD bond angle	1.434
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.090	43.090	3.040
High resolution limit [Å]	2.950	12.160	2.950
Rmerge	0.067	0.032	0.884
Rpim	0.052	0.026	0.684
Total number of observations	110137	1628	9652
Number of reflections	52130
<I/σ(I)>	9.1	30	1.2
Completeness [%]	84.8	77.5	87.5
Redundancy	2.1	2.4	2.1
CC(1/2)	0.989	0.963	0.471

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	7% PEG 8000, 25 MM BISTRIS-PROPANE PH, 6.8, 75 MM BISTRIS-PROPANE PH 7.4, 50 MM AMMONIUM SULFATE, 5% GLYCEROL, 5% SUCROSE