6OPY

HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, L76V, V82F, I84V Mutant in complex with darunavir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97919
Spacegroup name	P 61
Unit cell lengths	62.114, 62.114, 82.564
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.057 - 2.130
R-factor	0.2018
Rwork	0.191
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dh0
RMSD bond length	0.006
RMSD bond angle	0.783
Data scaling software	HKL-3000 (v703x)
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.346
High resolution limit [Å]	2.130	2.131
Number of reflections	9912	2291
<I/σ(I)>	29.7
Completeness [%]	97.0
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	19-26% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5