7U5Z

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with JLJ353

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	162.872, 73.538, 109.226
Unit cell angles	90.00, 100.47, 90.00

Refinement procedure

Resolution	48.900 - 2.300
R-factor	0.2353
Rwork	0.233
R-free	0.28040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g1q
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.081	2.338
High resolution limit [Å]	2.299	2.299
Rmerge	0.081
Rmeas	0.087
Rpim	0.033	0.873
Number of reflections	56437	2831
<I/σ(I)>	12.3	0.8
Completeness [%]	99.4	100
Redundancy	7
CC(1/2)	0.999	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	277.15	50 mM imidazole pH 6.4, 20% PEG 8000, 100 mM ammonium sulfate, 15 mM magnesium sulfate, and 5 mM spermine