7N6X

Crystal structure of HIV-1 Protease multiple mutants PRS17 bound to inhibitor Amprenavir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	62.994, 62.994, 82.691
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.970 - 1.470
R-factor	0.2006
Rwork	0.199
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t2z
RMSD bond length	0.018
RMSD bond angle	2.396
Data reduction software	HKL-2000 (0.719.2)
Data scaling software	HKL-2000 (0.719.2)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.520
High resolution limit [Å]	1.470	3.170	1.470
Rmerge	0.063	0.051	1.124
Rmeas	0.066	0.054	1.198
Rpim	0.021	0.017	0.406
Total number of observations	306763
Number of reflections	31170	3176	3010
<I/σ(I)>	21.5
Completeness [%]	98.6	98.6	95.7
Redundancy	9.8	10.1	8.2
CC(1/2)		0.996	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	37.5% Tacsimate (Hampton Research)