4QNB

Disulfide stabilized HIV-1 CA hexamer in complex with PHENYL-L-PHENYLALANINAMIDE inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-01-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	1
Spacegroup name	P 6
Unit cell lengths	91.383, 91.383, 56.587
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.642 - 1.996
R-factor	0.2227
Rwork	0.220
R-free	0.27070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h47
RMSD bond length	0.008
RMSD bond angle	0.997
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.996
Number of reflections	18424
<I/σ(I)>	43.9
Redundancy	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	10% PEG 8,000, 2% Tacsimate, 100 mM Tris, VAPOR DIFFUSION, SITTING DROP, temperature 293K