5VP9

Crystal structure of HCV NS3/4A protease in complex with AM-07, an analogue of 5172-mcP1P3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-12
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	54.792, 58.355, 60.421
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.987 - 1.859
R-factor	0.1699
Rwork	0.168
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5epn
RMSD bond length	0.005
RMSD bond angle	0.885
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.859
Number of reflections	16852
<I/σ(I)>	15.7
Completeness [%]	99.9
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	100 mM MES BUFFER pH 6.5, 4% (W/V) AMMONIUM SULFATE, 20-26% PEG 3350