7KWU

Crystal Structure of HIV-1 RT in Complex with 16c (K07-15)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03326
Spacegroup name	C 1 2 1
Unit cell lengths	163.379, 72.622, 109.723
Unit cell angles	90.00, 100.20, 90.00

Refinement procedure

Resolution	29.540 - 2.020
R-factor	0.2139
Rwork	0.211
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g1q
RMSD bond length	0.003
RMSD bond angle	0.667
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.540	2.060
High resolution limit [Å]	2.020	2.020
Rmerge	0.503
Rmeas	0.518	12.606
Rpim	0.124	3.396
Number of reflections	83044	4512
<I/σ(I)>	9.6	1.3
Completeness [%]	100.0	100
Redundancy	17.8	13.7
CC(1/2)	0.995	0.383

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	10%(v/v) PEG 8000, 4%(v/v) PEG 400, 100 mM MES pH 6.3-6.6, 10 mM spermine, 15 mM MgSO4, 100 mM ammonium sulfate, and 5 mM tris(2-carboxyethyl)phosphine