7MA5

HIV-1 Protease (I84V) in Complex with UMass4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-10
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.162, 57.857, 62.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.903 - 1.977
R-factor	0.1777
Rwork	0.175
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.005
RMSD bond angle	0.787
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.910	2.020
High resolution limit [Å]	1.977	1.980
Rmerge	0.068	0.250
Number of reflections	12820	1231
<I/σ(I)>	23.4	5.3
Completeness [%]	95.2	88
Redundancy	5.2	4.3

Crystallization Conditions

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