5WTW

Hepatitis B virus core protein Y132A mutant in P 41 21 2 Space Group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 41 21 2
Unit cell lengths	79.270, 79.270, 163.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.513 - 2.623
R-factor	0.2107
Rwork	0.207
R-free	0.25810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kxs
RMSD bond length	0.009
RMSD bond angle	1.048
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.670
High resolution limit [Å]	2.620	7.110	2.620
Rmerge	0.119	0.052	0.849
Number of reflections	16217
<I/σ(I)>	13
Completeness [%]	99.3	99	96.2
Redundancy	10.2	9.9	4.9
CC(1/2)		0.998	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	5.4 M ammonium nitrate and 0.1 M Bis-tris propane pH 7.0