4NKK

Crystal structure of a multi-drug resistant clinical isolate-769 HIV-1 protease variant that is resistant to the dimerization inhibitory activity of TLF-PafF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	0.99
Spacegroup name	P 41 21 2
Unit cell lengths	44.875, 44.875, 105.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.341 - 1.800
R-factor	0.2061
Rwork	0.204
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pj6
RMSD bond length	0.007
RMSD bond angle	1.113
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	35.110
High resolution limit [Å]	1.560
Rmerge	0.060

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	298	0.3-1.0 M NaCl (precipitant), pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K