7AIG

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	89.701, 133.550, 140.429
Unit cell angles	90.00, 98.41, 90.00

Refinement procedure

Resolution	54.000 - 2.950
R-factor	0.2145
Rwork	0.213
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v4i
RMSD bond length	0.002
RMSD bond angle	0.430
Data reduction software	MOSFLM (7.2.2)
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]	54.000	3.020
High resolution limit [Å]	2.950	2.950
Rmerge	0.145	1.242
Rpim	0.075	0.650
Number of reflections	68643	4430
<I/σ(I)>	6.5	1.5
Completeness [%]	99.5	99.6
Redundancy	4.6	4.4
CC(1/2)	0.992	0.287

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