7RAR

Structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer

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	2020-10-13
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 6
Unit cell lengths	91.849, 91.849, 57.775
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.750 - 2.150
R-factor	0.2096
Rwork	0.208
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h47
RMSD bond length	0.004
RMSD bond angle	0.717
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.750	2.220
High resolution limit [Å]	2.150	2.150
Rmerge	0.182	1.590
Number of reflections	15259	1325
<I/σ(I)>	12.2	1.5
Completeness [%]	100.0	100
Redundancy	10.8	10.2
CC(1/2)	0.997	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.425M NaI, 4% peg 3350, 6% glycerol, 0.1M sodium cacodylate trihydrate pH 6.5