1N49

Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	2001-08-07
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	51.620, 61.350, 59.040
Unit cell angles	90.00, 81.20, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.223
Rwork	0.223
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f7a
RMSD bond length	0.008
RMSD bond angle	28.800 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.064	0.270
Total number of observations	19193 *
Number of reflections	13097	1184 *
<I/σ(I)>	7.6
Completeness [%]	71.2	66 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2		sodium phosphate, sodium citrate, ammonium sulphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.5 (mg/ml)
2	1	reservoir	phosphate	126 (mM)	pH6.2
3	1	reservoir	sodium citrate	63 (mM)
4	1	reservoir	ammonium sulfate	28-31 (%)