2ONT

A swapped dimer of the HIV-1 capsid C-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1
Spacegroup name	P 43 21 2
Unit cell lengths	40.129, 40.129, 105.322
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.246
Rwork	0.243
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	the structure of the wild-type CA-CTD monomer (1A8O). In the above search model the linker region and a part of helix 2 (residues 174-188 of the capsid) were removed to avoid introducing a bias in the possible mode of dimerization
RMSD bond length	0.018
RMSD bond angle	1.755
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.046	0.313
Number of reflections	4176
<I/σ(I)>		5
Completeness [%]	98.0	89.6
Redundancy	6.9	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.75	277	Reservoir: 0.1 M Sodium phosphate pH 6.75, 28% v/v PEG 1500, 15% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K