6B2G

P38A mutant of 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	CCD
Collection date	2016-04-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033200
Spacegroup name	P 6
Unit cell lengths	92.139, 92.139, 57.481
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.640 - 2.407
R-factor	0.2391
Rwork	0.238
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xfx
RMSD bond length	0.002
RMSD bond angle	0.447
Data reduction software	Aimless (0.5.31)
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]	46.640	46.640	2.500
High resolution limit [Å]	2.407	9.000	2.410
Rmerge	0.065	0.050	1.038
Rmeas	0.068	0.053	1.095
Rpim	0.022	0.018	0.344
Number of reflections	10898	228	1116
<I/σ(I)>	19.6
Completeness [%]	99.6	99.6	96.7
Redundancy	10.1	9.2	9.6
CC(1/2)	0.998	0.997	0.716

Crystallization Conditions

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