7AIF

HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE 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 PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	89.651, 132.702, 138.770
Unit cell angles	90.00, 98.65, 90.00

Refinement procedure

Resolution	80.140 - 2.750
R-factor	0.2194
Rwork	0.218
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v4i
RMSD bond length	0.002
RMSD bond angle	0.414
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]	80.140	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.118	0.629
Rpim	0.074	0.389
Number of reflections	82069	4508
<I/σ(I)>	6.2	1.8
Completeness [%]	98.5	98.2
Redundancy	3.4	3.6
CC(1/2)	0.993	0.302

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