1MTB

Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2001-08-08
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	51.439, 60.039, 62.021
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.560 - 2.500
R-factor	0.191
Rwork	0.191
R-free	0.25700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1f7a
RMSD bond length	0.008
RMSD bond angle	26.500 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.600	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.080 *	0.360 *
Total number of observations	28072 *
Number of reflections	6743	496 *
<I/σ(I)>	7
Completeness [%]	93.4	71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	sodium phosphate, sodium citrate, ammonium sulphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP at 298K

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 (%)