6EC2

Structure of HIV-1 CA 1/3-hexamer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	74.800, 97.470, 150.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 3.400
R-factor	0.21407
Rwork	0.211
R-free	0.27505
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID: 3H47
RMSD bond length	0.015
RMSD bond angle	1.825
Data reduction software	XDS (20180126)
Phasing software	PHASER (7.0.0)
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	3.490
High resolution limit [Å]	3.400	3.400
Rmerge	0.140	0.580
Number of reflections	28732	4449
<I/σ(I)>	6.3
Completeness [%]	98.1
Redundancy	2.1
CC(1/2)	0.985	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	293	0.2M Calcium Acetate, 0.1 M MES:NaOH pH 6, 20% PEG 8000