4QGI

X-ray crystal structure of HIV-1 protease variant G48T/L89M in complex with Saquinavir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5148
Spacegroup name	P 21 21 21
Unit cell lengths	28.952, 67.168, 93.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.272 - 1.896
R-factor	0.1901
Rwork	0.187
R-free	0.24570
RMSD bond length	0.008
RMSD bond angle	1.159
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.280	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Number of reflections	14599
Completeness [%]	96.5	91.9	94.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1 M Sodium citrate, 20% 2-propanol, 20% PEG 4000 , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K