7OTX

HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-257

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	2019-11-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 1 21 1
Unit cell lengths	89.817, 132.878, 139.589
Unit cell angles	90.00, 98.78, 90.00

Refinement procedure

Resolution	53.930 - 3.450
R-factor	0.2144
Rwork	0.213
R-free	0.25100
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]	53.930	3.580
High resolution limit [Å]	3.450	3.450
Rmerge	0.205	2.707
Rmeas	0.223	2.940
Rpim	0.087	1.136
Total number of observations	280070
Number of reflections	42820	4505
<I/σ(I)>	7.1
Completeness [%]	100.0	100
Redundancy	6.5	6.6
CC(1/2)	0.971	0.257

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