2AOH

Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P6-PR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	90
Detector technology	CCD
Collection date	2002-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97900
Spacegroup name	P 21 21 2
Unit cell lengths	58.882, 86.283, 46.404
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.420
Rwork	0.179
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1daz
RMSD bond length	0.011
RMSD bond angle	0.031
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	1.470
High resolution limit [Å]	1.420	1.420
Rmerge	0.098	0.708
<I/σ(I)>	17.1	2.63
Completeness [%]	90.3	100
Redundancy	5.1	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	AMMONIUM SULFATE 30%, DMSO 7%,SODIUM ACETATE BUFFER, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K