3CT5

Crystal and cryoEM structural studies of a cell wall degrading enzyme in the bacteriophage phi29 tail

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	30.947, 69.226, 70.791
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.500 - 1.370
R-factor	0.20151
Rwork	0.200
R-free	0.22931
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.015
RMSD bond angle	1.567
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.500	1.420
High resolution limit [Å]	1.370	1.370
Rmerge	0.050	0.196
Number of reflections	32430
<I/σ(I)>	33.5	8.3
Completeness [%]	98.9	96.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20% PEG4000, 100mM Tris-HCl, 10% glycerol, 10mM NAG6, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K