5W4Q

Structure of the R18A/E28A 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	92.055, 92.055, 58.253
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.030 - 2.285
R-factor	0.208
Rwork	0.206
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 4XFX
RMSD bond length	0.003
RMSD bond angle	0.564
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]	47.034	47.030	2.360
High resolution limit [Å]	2.280	8.850	2.280
Rmerge	0.075	0.039	0.930
Rmeas	0.083	0.044	1.026
Rpim	0.035	0.020	0.428
Number of reflections	12728		1246
<I/σ(I)>	13.6
Completeness [%]	98.6	99.6	98.1
Redundancy	5.6	5.3	5.6
CC(1/2)	0.996	0.995	0.579

Crystallization Conditions

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