4JMY

Crystal structure of HCV NS3/NS4A protease complexed with DDIVPC peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Detector	RAYONIX SX-165mm
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	94.123, 94.123, 83.236
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.238 - 1.950
R-factor	0.2179
Rwork	0.216
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.134
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.240	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.047	0.331
Number of reflections	30448
<I/σ(I)>	10.7
Completeness [%]	99.5	99.5
Redundancy	3.59

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	3M NaCl, 0.1M Na Citrate pH6.0, 2.5% T-butanol, 20mM OBG, 5mM DTT, 3mM sodium azide, VAPOR DIFFUSION, HANGING DROP, temperature 291K