2HWH

HCV NS5B allosteric inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-06-02
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	85.368, 105.709, 126.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.234
Rwork	0.233
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 1C2P
RMSD bond length	0.007
RMSD bond angle	1.148
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.100
Number of reflections	51206
<I/σ(I)>	11.7	4.1
Completeness [%]	99.2	0.993
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5	295	20% PEG 4000, 5 mM DTT, 0.5M MES, 1.0 M NACL, pH 5, MICRO BATCH, pH 5.0, EVAPORATION, temperature 295K