6DH4

Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with UMass1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-21
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.271, 57.833, 62.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.160 - 1.943
R-factor	0.1873
Rwork	0.185
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ll3
RMSD bond length	0.002
RMSD bond angle	0.551
Data scaling software	HKL-3000 (703x)
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.160	2.093
High resolution limit [Å]	1.943	1.943
Number of reflections	13520
<I/σ(I)>	14.1
Completeness [%]	95.6
Redundancy	5.1

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