1QGT

HUMAN HEPATITIS B VIRAL CAPSID (HBCAG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID2
Synchrotron site	ESRF
Beamline	ID2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-01
Detector	MAR scanner 345 mm plate
Spacegroup name	C 1 2 1
Unit cell lengths	538.400, 354.800, 370.100
Unit cell angles	90.00, 132.30, 90.00

Refinement procedure

Resolution	8.000 - 3.300
R-factor	0.271 *
Rwork	0.271
Structure solution method	OTHER
RMSD bond length	0.016
RMSD bond angle	24.800 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLOMON
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.800	3.480
High resolution limit [Å]	3.300	3.300
Rmerge	0.153	0.782
Number of reflections	727106
<I/σ(I)>	6.4	0.9
Completeness [%]	94.9	78.2
Redundancy	2.9	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	21 *	drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15-20 (mg/ml)
2	1	drop	Tris-HCl	5 (mM)
3	1	drop		150 (mM)
4	1	reservoir	MES	0.1 (M)
5	1	reservoir	ammonium sulfate	0.1-0.4 (M)
6	1	reservoir	PEG20000	3.5-4 (%)
7	1	reservoir	butanediol	20 (%)