4OK3

Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	81.394, 104.232, 117.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.090 - 2.300
R-factor	0.2352
Rwork	0.232
R-free	0.29230
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.397
Data reduction software	d*TREK (9.9.2L)
Data scaling software	d*TREK (9.9.2L)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.670	47.670	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.100	0.047	0.787
Total number of observations		29545	29462
Number of reflections	45339
<I/σ(I)>	7.7	23.5	1.2
Completeness [%]	100.0	100	100
Redundancy	6.29	6.06	6.52

Crystallization Conditions

crystal ID	method	pH	temperature	details
1