5W4P

Structure of the 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	92.672, 92.672, 57.969
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.336 - 2.190
R-factor	0.2146
Rwork	0.213
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 4XFX
RMSD bond length	0.002
RMSD bond angle	0.481
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]	46.990	46.990	2.260
High resolution limit [Å]	2.190	9.030	2.190
Rmerge	0.056	0.035	0.639
Rmeas	0.062	0.040	0.711
Rpim	0.026	0.018	0.308
Number of reflections	14722		1236
<I/σ(I)>	16.2
Completeness [%]	99.8	98.9	98.6
Redundancy	5.6	5.3	5.1
CC(1/2)	0.997	0.994	0.779

Crystallization Conditions

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