7LPW

Crystal Structure of HIV-1 RT in Complex with NBD-14189

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96868
Spacegroup name	C 1 2 1
Unit cell lengths	161.433, 72.953, 107.747
Unit cell angles	90.00, 99.87, 90.00

Refinement procedure

Resolution	34.820 - 2.320
R-factor	0.2159
Rwork	0.215
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g1q
RMSD bond length	0.006
RMSD bond angle	0.874
Data reduction software	HKL-2000 (dev_3051)
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_3051)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.820	2.350
High resolution limit [Å]	2.316	2.316
Rmerge	0.071	0.580
Rmeas	0.077	0.670
Rpim	0.030	0.330
Number of reflections	53283	2395
<I/σ(I)>	23.6	2
Completeness [%]	99.1	90.3
Redundancy	5.9	3.6
CC(1/2)	0.996	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	277	10% PEG 8,000, 4% PEG 400, 100 mM imidazole pH 6.6,10 mM spermine, 15 mM MgSO4,100 mM (NH4)2SO4, and 5 mM tris(2-carboxyethyl)phosphine(TCEP)