1SH9

Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	298
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	62.121, 62.121, 84.784
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.770 - 2.500
R-factor	0.213
Rwork	0.213
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hxw
RMSD bond length	0.006
RMSD bond angle	1.300
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.770	2.590
High resolution limit [Å]	2.480	2.480
Number of reflections	6598
<I/σ(I)>	4.4
Completeness [%]	97.8	89.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	298	20mM Sodium Acetate, 1.5 M Ammonium Sulfate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 6.00