4Y5Z

T=1 capsid structure of SeMV Ndel65CP fused with B-domain of S. aureus protein SpA at the N-terminus (P1 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	2012-08-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 1
Unit cell lengths	186.480, 187.420, 187.930
Unit cell angles	61.09, 89.24, 60.20

Refinement procedure

Resolution	41.916 - 2.950
R-factor	0.1987
Rwork	0.196
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vak
RMSD bond length	0.010
RMSD bond angle	1.255
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.920	41.916	3.110
High resolution limit [Å]	2.950	9.330	2.950
Rmerge		0.077	0.469
Rmeas	0.176
Rpim	0.092	0.045	0.315
Total number of observations	1255405	46759	131461
Number of reflections	365689
<I/σ(I)>	6.6	11.7	2.2
Completeness [%]	94.1	97.5	85.2
Redundancy	3.4	3.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	15-25% PEG 400, 0.2M magnesium chloride, 0.1M HEPES