6AXX

Structure of the T58A/I124A mutant of the HIV-1 capsid protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-12-01
Detector	RDI CMOS_8M
Wavelength(s)	1.000031
Spacegroup name	P 6
Unit cell lengths	91.646, 91.646, 57.695
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.800 - 2.600
R-factor	0.1931
Rwork	0.190
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xfx
RMSD bond length	0.009
RMSD bond angle	1.315
Data reduction software	Aimless (0.5.32)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (REFMAC 5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.820	45.820	2.710
High resolution limit [Å]	2.600	9.000	2.600
Rmerge	0.107	0.035	1.391
Rmeas	0.112	0.037	1.469
Rpim	0.034	0.012	0.466
Total number of observations	91517	2271	9829
Number of reflections	8617	221	1013
<I/σ(I)>	18.3	67.9	1.6
Completeness [%]	99.5	98.6	96
Redundancy	10.6	10.3	9.7
CC(1/2)	0.999	0.999	0.577

Crystallization Conditions

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