4DMI

Crystal Structure of a Pentameric Capsid Protein Isolated from Metagenomic Phage Sequences (CASP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-11
Detector	ADSC QUANTUM 315r
Spacegroup name	P 1 21 1
Unit cell lengths	57.570, 147.870, 57.850
Unit cell angles	90.00, 112.05, 90.00

Refinement procedure

Resolution	43.410 - 1.500
R-factor	0.16
Rwork	0.158
R-free	0.18200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.102
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.4.0)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.410	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.066	0.413
Number of reflections	139069
<I/σ(I)>	16.53	3.94
Completeness [%]	97.3	93.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.4		20% w/v PEG 3350, 0.2M Potassium Formate, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 100K