6B2K

E45A/R132T mutant of HIV-1 capsid protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033190
Spacegroup name	P 6
Unit cell lengths	92.431, 92.431, 57.702
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.000 - 2.000
R-factor	0.1984
Rwork	0.197
R-free	0.21830
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.106
Data reduction software	Aimless (0.5.24)
Data scaling software	Aimless (0.5.24)
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.000	46.810	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.054	0.037	0.992
Rmeas	0.057	0.040	1.071
Rpim	0.018	0.013	0.395
Number of reflections	19130	235	1416
<I/σ(I)>	23.3
Completeness [%]	99.9	99.4	99.3
Redundancy	9.8	9.1	7
CC(1/2)	1.000	0.999	0.589

Crystallization Conditions

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