6W6T

WT HIV-1 Protease in Complex with Phosphonated UMass6 (PU6)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-23
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.130, 57.953, 61.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.900 - 1.840
R-factor	0.2014
Rwork	0.200
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.003
RMSD bond angle	0.682
Data reduction software	HKL-3000
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]	21.900	1.910
High resolution limit [Å]	1.840	1.840
Rmerge	0.060	0.290
Number of reflections	16226	1420
<I/σ(I)>	22.7
Completeness [%]	98.4
Redundancy	6.4

Crystallization Conditions

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