6B2H

P38A/T216I 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	2016-04-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033190
Spacegroup name	P 6
Unit cell lengths	92.242, 92.242, 57.735
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.800 - 2.600
R-factor	0.2029
Rwork	0.200
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xfx
RMSD bond length	0.009
RMSD bond angle	1.266
Data reduction software	Aimless (0.5.31)
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.800	46.790	2.710
High resolution limit [Å]	2.600	8.990	2.600
Rmerge	0.071	0.049	0.804
Rmeas	0.075	0.053	0.850
Rpim	0.024	0.018	0.273
Number of reflections	8764	230	1037
<I/σ(I)>	15.8
Completeness [%]	99.8	99.3	98.4
Redundancy	9.8	9	9.3
CC(1/2)	0.998	0.997	0.791

Crystallization Conditions

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