6J10

Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	80
Detector technology	CCD
Collection date	2018-03-21
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	153.924, 88.510, 99.162
Unit cell angles	90.00, 121.13, 90.00

Refinement procedure

Resolution	30.700 - 2.300
R-factor	0.25975
Rwork	0.257
R-free	0.30346
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.367
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.890	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	47285
<I/σ(I)>	30.1
Completeness [%]	98.0
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	100mM ammonium citrate pH 6.0, 14% PEG5000MME, 2% hexylene glycol, 10% isopropanol