3N3I

Crystal Structure of G48V/C95F tethered HIV-1 Protease/Saquinavir complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	62.410, 62.410, 83.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.981 - 2.501
R-factor	0.2177
Rwork	0.216
R-free	0.25310
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.100
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.981	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.089	0.455
Number of reflections	6307
<I/σ(I)>	14.2	3.9
Completeness [%]	98.6	98.4
Redundancy	5.9	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	1-5% saturated Ammonium Sulfate, 200/100mM Phosphate/Citrate Buffer, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K