7OTA

HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-230

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	89.677, 132.088, 138.490
Unit cell angles	90.00, 98.41, 90.00

Refinement procedure

Resolution	53.500 - 3.000
R-factor	0.2318
Rwork	0.231
R-free	0.26930
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]	79.990	3.070
High resolution limit [Å]	3.000	3.000
Rmerge	0.120	2.322
Rpim	0.050	0.977
Number of reflections	64004	4504
<I/σ(I)>	8.6	1
Completeness [%]	100.0	100
Redundancy	6.6	6.6
CC(1/2)	0.997	0.274

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