2BRL

Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Collection date	2003-07-17
Spacegroup name	P 21 21 2
Unit cell lengths	68.303, 94.854, 96.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.193
Rwork	0.189
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1csj
RMSD bond length	0.015
RMSD bond angle	1.496
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.080	0.320
Number of reflections	25135
<I/σ(I)>	7	2.3
Completeness [%]	100.0	100
Redundancy	5.2	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		pH 6.00