7M9F

Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 6
Unit cell lengths	90.900, 90.900, 56.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.710 - 2.700
R-factor	0.1728
Rwork	0.169
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xfz
RMSD bond length	0.017
RMSD bond angle	1.893
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.710	45.710	2.770
High resolution limit [Å]	2.700	12.080	2.700
Rmerge	0.108	0.058	0.768
Rmeas	0.118	0.062	0.840
Total number of observations	52178
Number of reflections	7239	69	502
<I/σ(I)>	13.62	33.7	3.39
Completeness [%]	97.9	73.4	91.1
Redundancy	7.208	7.928	6.064
CC(1/2)	0.996	0.999	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG 3350, NaI, Sodium Cacodylate, Glycerol