5HGM

Hexameric HIV-1 CA in complex with dATP

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	2014-09-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 6
Unit cell lengths	90.810, 90.810, 56.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.980 - 2.040
R-factor	0.2373
Rwork	0.236
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h4e
RMSD bond length	0.007
RMSD bond angle	0.991
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.3.12)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.980	45.980	2.080
High resolution limit [Å]	2.030	9.090	2.030
Rmerge	0.112	0.035	0.551
Rpim	0.077	0.023	0.418
Total number of observations	46558	527	2061
Number of reflections	16259
<I/σ(I)>	8.2	27.7	1.9
Completeness [%]	94.9	85.8	69.1
Redundancy	2.9	3.1	2.4
CC(1/2)	0.993	0.997	0.420

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), 10mM dATP