7OTN

HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-247

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 1 21 1
Unit cell lengths	89.820, 132.350, 138.620
Unit cell angles	90.00, 98.45, 90.00

Refinement procedure

Resolution	95.230 - 3.400
R-factor	0.2157
Rwork	0.214
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v4i
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]	95.230	3.530
High resolution limit [Å]	3.400	3.400
Rmerge	0.188	2.328
Rmeas	0.206	2.534
Rpim	0.082	0.988
Total number of observations	278514
Number of reflections	44271	4613
<I/σ(I)>	7.3
Completeness [%]	100.0	99.9
Redundancy	6.3	6.5
CC(1/2)	0.979	0.350

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	16-19% V/V PEG SMEAR BROAD, 0.2 M (NH4)2SO4, 0.1 M TRIS-HCL