5VOJ

Crystal structure of HCV NS3/4A protease in complex with JZ01-15, 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	2017-02-13
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	55.365, 58.600, 59.904
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.945 - 1.799
R-factor	0.1614
Rwork	0.160
R-free	0.19280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5epn
RMSD bond length	0.005
RMSD bond angle	1.106
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]	20.950
High resolution limit [Å]	1.799
Number of reflections	17608
<I/σ(I)>	7.8
Completeness [%]	94.1
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM MES BUFFER pH 6.5, 4% (W/V) AMMONIUM SULFATE, 20-26% PEG 3350