3B7V

HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate NLLTQI

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
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	58.304, 86.121, 46.307
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.460
R-factor	0.1521
R-free	0.21210
Structure solution method	AB INITIO
Starting model (for MR)	2ien
RMSD bond length	0.011
RMSD bond angle	0.030
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.460
Rmerge	0.103
Number of reflections	32850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	50mM sodium phosphate/100mM sodium citrate, 10% NaCl (w/w), 2.5% glycerol (v/v), pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K