6AXW

Structure of the 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	2016-12-20
Detector	RDI CMOS_8M
Wavelength(s)	1.000031
Spacegroup name	P 6
Unit cell lengths	92.611, 92.611, 57.954
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.950 - 2.400
R-factor	0.1925
Rwork	0.189
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xfx
RMSD bond length	0.007
RMSD bond angle	1.060
Data reduction software	Aimless (0.5.31)
Data scaling software	Aimless (0.5.31)
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]	57.950	57.950	2.490
High resolution limit [Å]	2.400	8.970	2.400
Rmerge	0.113	0.055	0.750
Rmeas	0.119	0.058	0.797
Rpim	0.036	0.019	0.267
Total number of observations	115437
Number of reflections	10933	233	1136
<I/σ(I)>	15.8
Completeness [%]	97.2	98.7	96.8
Redundancy	10.6	10.1	8.4
CC(1/2)	0.998	0.998	0.808

Crystallization Conditions

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