7MA4

HIV-1 Protease (I84V) in Complex with UMass3

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	51.232, 58.135, 62.128
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.932 - 1.989
R-factor	0.1966
Rwork	0.194
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.003
RMSD bond angle	0.593
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.940	2.020
High resolution limit [Å]	1.989	1.990
Rmerge	0.068	0.271
Number of reflections	12688	1205
<I/σ(I)>	28.2	6.2
Completeness [%]	95.5	88.3
Redundancy	7.2	6.8

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