2FVC

Crystal structure of NS5B BK strain (delta 24) in complex with a 3-(1,1-Dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Collection date	1999-11-19
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	85.500, 105.200, 126.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
Rwork	0.206
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 1CSJ
RMSD bond length	0.005
RMSD bond angle	1.220
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.078	0.040	0.307
Number of reflections	75720	8057	6459
<I/σ(I)>	14
Completeness [%]	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	macroseeding, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K