7OTK

HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-233

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	2019-06-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 1 21 1
Unit cell lengths	89.550, 132.500, 139.270
Unit cell angles	90.00, 98.45, 90.00

Refinement procedure

Resolution	61.110 - 2.950
R-factor	0.2278
Rwork	0.227
R-free	0.27070
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]	61.880	3.020
High resolution limit [Å]	2.950	2.950
Rmerge	0.107	1.800
Rpim	0.045	0.737
Number of reflections	67827	4588
<I/σ(I)>	10.5
Completeness [%]	100.0	100
Redundancy	6.7	6.9
CC(1/2)	0.999	0.281

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