1DW6

Structural and kinetic analysis of drug resistant mutants of HIV-1 protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-05-28
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	52.018, 59.566, 61.976
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.880
Rwork	0.218
R-free	0.24900
RMSD bond length	0.008 *
RMSD bond angle	1.330 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.000	1.880
High resolution limit [Å]	1.800	1.800
Rmerge	0.064	0.338
Number of reflections	17838
Completeness [%]	96.6	93.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *		298	CITRATE/PHOSPHATE BUFFER 0.05M, DTT 10MM, DMSO 10%, SATURATED AMMONIUM SULPHAT25-50%, PROTEIN 2-5 MG/MLE , VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protease	4.5-8.0 (mg/ml)
2	1	drop	sodium acetate	20-50 (mM)
3	1	reservoir	sodium citrate	0.25 (M)
4	1	reservoir	sodium phosphate	0.5 (M)
5	1	reservoir	ammonium sulfate	20-45 (%sat)