7AHX

HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR WITH BOUND MANGANESE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	89.416, 132.371, 138.744
Unit cell angles	90.00, 98.48, 90.00

Refinement procedure

Resolution	69.800 - 2.730
R-factor	0.2153
Rwork	0.214
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v4i
RMSD bond length	0.002
RMSD bond angle	0.443
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]	69.800	2.780
High resolution limit [Å]	2.730	2.730
Rmerge	0.100	0.388
Rpim	0.064	0.254
Number of reflections	84580	4484
<I/σ(I)>	7.3	2.7
Completeness [%]	99.7	99.5
Redundancy	3.4	3.2
CC(1/2)	0.991	0.286

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