3CSQ

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 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03
Spacegroup name	P 1 21 1
Unit cell lengths	53.842, 133.963, 85.725
Unit cell angles	90.00, 89.99, 90.00

Refinement procedure

Resolution	19.900 - 1.800
R-factor	0.24046
Rwork	0.238
R-free	0.28239
Structure solution method	SIR+SAD
RMSD bond length	0.014
RMSD bond angle	1.565
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX (& SHARP)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.900	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.055	0.109
Number of reflections	109340
<I/σ(I)>	20	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	100mM Tris-HCl, 200mM MgCl2, 28% (w/v) PEG4000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K