7OTZ

HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-259

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	89.748, 133.130, 140.368
Unit cell angles	90.00, 97.59, 90.00

Refinement procedure

Resolution	96.190 - 3.100
R-factor	0.2111
Rwork	0.210
R-free	0.25660
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]	96.190	3.180
High resolution limit [Å]	3.100	3.100
Rmerge	0.140	1.840
Rmeas	0.152	2.005
Rpim	0.060	0.788
Total number of observations	381481
Number of reflections	59442	4578
<I/σ(I)>	9.4
Completeness [%]	100.0	100
Redundancy	6.4	6.5
CC(1/2)	0.996	0.330

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