6AXT

Structure of the T58S/T107I/P122A 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	CCD
Collection date	2015-11-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033760
Spacegroup name	P 6
Unit cell lengths	92.407, 92.407, 57.509
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.700 - 2.400
R-factor	0.2247
Rwork	0.224
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xfx
RMSD bond length	0.002
RMSD bond angle	0.474
Data reduction software	Aimless (0.5.17)
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.11.1-2575_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.700	46.700	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.071	0.042	1.313
Rmeas	0.075	0.046	1.406
Rpim	0.026	0.016	0.490
Total number of observations	86620
Number of reflections	10448	205	1099
<I/σ(I)>	17.7
Completeness [%]	94.1	88.9	95.2
Redundancy	8.3	7.6	8.1
CC(1/2)	0.999	0.998	0.490

Crystallization Conditions

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