7OZ2

Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA showing a transient P-pocket

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.91587
Spacegroup name	C 1 2 1
Unit cell lengths	310.638, 62.070, 168.239
Unit cell angles	90.00, 104.51, 90.00

Refinement procedure

Resolution	81.440 - 2.850
R-factor	0.219
Rwork	0.217
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6amo
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.440	2.910
High resolution limit [Å]	2.850	2.850
Rmerge	0.234	1.413
Number of reflections	73287	6000
<I/σ(I)>	5.9	1.5
Completeness [%]	99.8	100
Redundancy	6.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	11-12% v/v PEG Smear Broad, 10% w/v sucrose, 50 mM PIPES-NaOH pH 6.5, 0.1 M (NH4)2SO4, 5 mM MgCl2, 5 mM CdCl2