6BHT

HIV-1 CA hexamer in complex with IP6, orthorhombic crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-01
Detector	MARRESEARCH
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	135.317, 137.173, 209.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.770 - 2.689
R-factor	0.2273
Rwork	0.227
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h4e
RMSD bond length	0.003
RMSD bond angle	0.628
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.740
High resolution limit [Å]	2.689	2.689
Rmerge	0.060	0.790
Number of reflections	108358
<I/σ(I)>	13.1
Completeness [%]	99.3
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.2	290	8% PEG 8000, 0.1M Tris