7MA3

HIV-1 Protease (I84V) in Complex with UMass2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-09
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	50.986, 57.877, 62.332
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.850 - 1.969
R-factor	0.1641
Rwork	0.162
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.005
RMSD bond angle	0.843
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.900	2.000
High resolution limit [Å]	1.969	1.970
Rmerge	0.073	0.295
Number of reflections	13387	1285
<I/σ(I)>	18
Completeness [%]	98.4	91.5
Redundancy	4.5	2.7

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