6B2I

E45A mutant of the 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	2015-03-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033200
Spacegroup name	P 6
Unit cell lengths	87.608, 87.608, 56.474
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.612 - 2.500
R-factor	0.2047
Rwork	0.202
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xfx
RMSD bond length	0.002
RMSD bond angle	0.443
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (1.10.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.940	37.940	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.144	0.043	0.807
Rmeas	0.162	0.049	0.916
Rpim	0.073	0.023	0.428
Total number of observations	41810	870	4139
Number of reflections	8647	197	942
<I/σ(I)>	9.1	25.7	2
Completeness [%]	99.3	97.5	95.9
Redundancy	4.8	4.4	4.4
CC(1/2)	0.992	0.998	0.643

Crystallization Conditions

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