4OJQ

Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-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
Spacegroup name	P 21 21 21
Unit cell lengths	82.144, 103.528, 119.312
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.097 - 2.250
R-factor	0.2196
Rwork	0.217
R-free	0.26980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.299
Data reduction software	d*TREK (9.9L)
Data scaling software	d*TREK (9.9L)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.100	39.100	2.330
High resolution limit [Å]	2.250	4.840	2.250
Rmerge	0.073	0.044	0.501
Total number of observations		34972	35061
Number of reflections	48646
<I/σ(I)>	11.1	27	2.6
Completeness [%]	99.4	98.8	99.3
Redundancy	7.07	6.63	7.33

Crystallization Conditions

crystal ID	method	pH	temperature	details
1