7OT6

HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND inhibitor RMC-282

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	89.447, 132.679, 139.717
Unit cell angles	90.00, 98.51, 90.00

Refinement procedure

Resolution	95.700 - 3.200
R-factor	0.2244
Rwork	0.223
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v4i
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.700	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.168	1.685
Rpim	0.074	0.722
Number of reflections	53347	4601
<I/σ(I)>	7.5	1.2
Completeness [%]	100.0	100
Redundancy	6.2	6.3
CC(1/2)	0.997	0.275

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	16-19.5% V/V PEG SMEAR BROAD, 0.2 M (NH4)2SO4, 0.1 M TRIS-HCL