3ZN5

VP16, a capsid protein of bacteriophage P23-77 (VP16-virus-derived)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-01-28
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	41.410, 77.050, 403.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.160 - 2.360
R-factor	0.1946
Rwork	0.193
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB CODE 3ZMO
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	BUSTER (2.11.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.160	2.420
High resolution limit [Å]	2.360	2.360
Rmerge	0.110	1.140
Number of reflections	54151
<I/σ(I)>	7.5	1.3
Completeness [%]	99.1	99.6
Redundancy	3.2	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP			SITTING DROP VAPOUR DIFFUSION SYSTEM, MICROLITER DROPS OF PURIFIED P23-77 VIRION (PROTEIN CONCENTRATION 2.4 MG/ML, SAMPLE BUFFER 20 MM TRIS-HCL PH 7.5, 5 MM MGCL2 AND 150 MM NACL) MIXED 1:1 WITH SOLUTION CONSISTING OF 0.1 M CITRIC ACID PH 3.5, 20 MM TRIS-HCL PH 7.5, 5 MM MGCL2, 150 MM NACL AND 25%(W/V) PEG 3350.