2FNT

Crystal structure of a drug-resistant (V82A) inactive (D25N) HIV-1 protease complexed with AP2V variant of HIV-1 NC-p1 substrate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	200
Detector technology	CCD
Collection date	2003-06-27
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	51.056, 57.623, 61.475
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.880 - 1.440
R-factor	0.18829
Rwork	0.187
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t3r
RMSD bond length	0.007
RMSD bond angle	1.320
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.440
Rmerge	0.047
Number of reflections	33155
<I/σ(I)>	10.4
Completeness [%]	100.0
Redundancy	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	126mM Sodium phosphate pH 6.2; 63mM sodium citrate; ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K