6VKV

Co-crystal structure of GS-6207 bound to HIV-1 capsid hexamer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2019-11-09
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 6
Unit cell lengths	160.050, 160.050, 57.526
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.260 - 2.220
R-factor	0.2332
Rwork	0.231
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pu1
RMSD bond length	0.007
RMSD bond angle	0.972
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.710	2.290
High resolution limit [Å]	2.220	2.220
Rpim	0.101	0.970
Number of reflections	41892	3828
<I/σ(I)>	8	1
Completeness [%]	100.0	99.9
Redundancy	10.7	8.6
CC(1/2)	0.994	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	0.125-0.35M Sodium Iodide, 3-12% Peg 3350, 6% glycerol, 0.1M sodium cacodylate pH 6.5