4Y6X

Structure of Tobacco streak virus coat protein at 2.1 Angstroms resolution (C2 crystal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.2819
Spacegroup name	C 1 2 1
Unit cell lengths	91.580, 74.670, 85.500
Unit cell angles	90.00, 123.73, 90.00

Refinement procedure

Resolution	28.930 - 2.100
R-factor	0.1806
Rwork	0.178
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y6t
RMSD bond length	0.016
RMSD bond angle	1.691
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.107	28.933	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.034	0.478
Rmeas	0.077
Rpim	0.038	0.019	0.273
Total number of observations	114040	3623	16083
Number of reflections	27988
<I/σ(I)>	13.1	31.6	3
Completeness [%]	99.8	99	99.5
Redundancy	4.1	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	24% PEG 1500, 0.2 M L-Proline, 0.1 M HEPES