7M9P

HIV-1 Protease (I84V) in Complex with LR3-55

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-09
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.102, 58.012, 61.915
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.383 - 1.819
R-factor	0.1658
Rwork	0.164
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.400	1.850
High resolution limit [Å]	1.819	1.820
Rmerge	0.040	0.235
Number of reflections	16651	1582
<I/σ(I)>	43.5	5.6
Completeness [%]	97.2	79.1
Redundancy	6.7	4.1

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