3EL5

Crystal structure of nelfinavir (NFV) complexed with a multidrug variant (ACT) (V82T/I84V) of HIV-1 protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	300
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	50.660, 57.594, 61.446
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.000 - 1.600
Rwork	0.198
R-free	0.22500
Starting model (for MR)	1f7a
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	42.000
High resolution limit [Å]	1.600
Rmerge	0.052
Number of reflections	24199
<I/σ(I)>	12.3
Completeness [%]	98.2
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	300	pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K