5HGP

Hexameric HIV-1 CA in complex with hexacarboxybenzene

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-08-21
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 6
Unit cell lengths	90.759, 90.759, 56.760
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.380 - 1.950
R-factor	0.195
Rwork	0.194
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h4e
RMSD bond length	0.008
RMSD bond angle	1.281
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.14)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.380	45.380	2.000
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.105	0.043	0.862
Rpim	0.043	0.017	0.368
Total number of observations	129940	1366	8862
Number of reflections	19152
<I/σ(I)>	11.7	32.2	2.1
Completeness [%]	97.9	89.5	99.5
Redundancy	6.8	6.9	6.5
CC(1/2)	0.997	0.999	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	PEG550MME (13-14%), KSCN (0.15M), TRIS (0.1M, pH 8.5), Mellitic acid (1mM). Mellitic acid stock was adjusted to pH 8.0 with TRIS prior to setting up trays.