2AOI

Crystal structure analysis of HIV-1 protease with a substrate analog P1-P6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	90
Detector technology	CCD
Collection date	2002-07-06
Detector	MARRESEARCH
Wavelength(s)	0.99997
Spacegroup name	P 21 21 2
Unit cell lengths	58.910, 86.069, 46.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.400
R-factor	0.1585
Rwork	0.161
R-free	0.20960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1daz
RMSD bond length	0.010
RMSD bond angle	0.030
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.074	0.190
Completeness [%]	88.3	96.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	AMMONIUM SULFATE 10%, DMSO 5%,SODIUM ACETATE BUFFER, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K