7LED

HIV-1 Protease WT (NL4-3) in Complex with PU4 (LR2-78)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-04
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.437, 58.504, 62.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.193 - 1.996
R-factor	0.1932
Rwork	0.191
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.002
RMSD bond angle	0.578
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.200	2.030
High resolution limit [Å]	1.996	1.996
Rmerge	0.068	0.303
Number of reflections	12221	547
<I/σ(I)>	20.8	3.8
Completeness [%]	92.2	85.7
Redundancy	4.7	3.4

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