7AID

HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE 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	89.861, 133.461, 140.230
Unit cell angles	90.00, 98.35, 90.00

Refinement procedure

Resolution	53.370 - 3.150
R-factor	0.215
Rwork	0.214
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v4i
RMSD bond length	0.002
RMSD bond angle	0.429
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]	53.370	3.240
High resolution limit [Å]	3.150	3.150
Rmerge	0.194	1.684
Rpim	0.104	0.900
Number of reflections	56199	4634
<I/σ(I)>	5.4	1.5
Completeness [%]	99.2	99.4
Redundancy	4.2	4.2
CC(1/2)	0.984	0.289

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