2AOE

crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog CA-P2

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	2002-07-01
Detector	MAR CCD 165 mm
Spacegroup name	P 21 21 2
Unit cell lengths	57.892, 85.962, 46.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.540
Rwork	0.130
R-free	0.19830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1daz
RMSD bond length	0.010
RMSD bond angle	0.029
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.600
High resolution limit [Å]	1.540	1.540
Rmerge	0.065	0.371
<I/σ(I)>	6.9
Completeness [%]	99.4	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	SODIUM CHLORIDE 1.3M, DMSO 7%,SODIUM ACETATE BUFFER, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K