1IIQ

CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH A HYDROXYETHYLAMINE PEPTIDOMIMETIC INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-04-10
Detector	MARRESEARCH
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	58.110, 86.340, 46.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.910 - 1.830
R-factor	0.17 *
Rwork	0.164
R-free	0.21000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hsg
RMSD bond length	0.008
RMSD bond angle	1.510 *
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	11.000	1.880
High resolution limit [Å]	1.830	1.830
Rmerge	0.110	0.220
Total number of observations	188100 *
Number of reflections	20474
<I/σ(I)>	15.8	4.9
Completeness [%]	97.4	93.7
Redundancy	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	280	Jancarik, J., (1991) J. Appl. Crystallogr., 24, 409., Dohnalek, J., (1998) Gen. Physiol. Biophys., 17, Suppl. 1, 9., Buchtelova, E., (1999) Mater. Struct., 6, 6. *