7AIJ

HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR

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	2018-10-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 1 21 1
Unit cell lengths	89.617, 132.929, 139.980
Unit cell angles	90.00, 98.50, 90.00

Refinement procedure

Resolution	69.220 - 2.950
R-factor	0.2271
Rwork	0.226
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v4i
RMSD bond length	0.002
RMSD bond angle	0.431
Data reduction software	MOSFLM (7.3.0)
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX (1.17.1)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.220	3.020
High resolution limit [Å]	2.950	2.950
Rmerge	0.156	1.489
Rpim	0.064	0.597
Number of reflections	68120	4537
<I/σ(I)>	7.9	1.3
Completeness [%]	99.7	99.3
Redundancy	6.9	7.1
CC(1/2)	0.997	0.281

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