5W4O

Structure of the R18A mutant of the HIV-1 capsid protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033203
Spacegroup name	P 6
Unit cell lengths	92.921, 92.921, 58.053
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.460 - 2.093
R-factor	0.219
Rwork	0.217
R-free	0.24620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 4XFX
RMSD bond length	0.002
RMSD bond angle	0.514
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX ((1.11.1-2575_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.080	47.080	2.150
High resolution limit [Å]	2.090	8.880	2.090
Rmerge	0.079	0.046	0.842
Rmeas	0.087	0.051	0.930
Rpim	0.037	0.023	0.391
Number of reflections	16952
<I/σ(I)>	12.5
Completeness [%]	99.8	99.2	97.8
Redundancy	5.6	5.2	5.4
CC(1/2)	0.997	0.996	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG3350, NaI, Sodium cacodylate, Glycerol