7MAQ

Drug Resistant HIV-1 Protease (L10F, V32I, L33F, K45I, A71V, V82I, I84V) in Complex with DRV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-02
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 61
Unit cell lengths	62.014, 62.014, 83.303
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.872 - 1.930
R-factor	0.23
Rwork	0.230
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.003
RMSD bond angle	0.724
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.900	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.051	0.460
Number of reflections	13684	1314
<I/σ(I)>	46	3.1
Completeness [%]	99.5	95.5
Redundancy	10.5	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	23-24% (w/v) Ammonium Sulfate, 0.1 M Bis-Tris-Methane-HCl Buffer pH 5.5