5UDM

Phage-associated cell wall hydrolase PlyPy from Streptococcus pyogenes, space group P6522

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97933
Spacegroup name	P 65 2 2
Unit cell lengths	122.970, 122.970, 163.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.485 - 2.640
R-factor	0.2114
Rwork	0.210
R-free	0.23750
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.541
Data reduction software	XDS (VERSION May 1, 2016 BUILT=20160617)
Data scaling software	XSCALE (VERSION May 1, 2016 BUILT=20160617)
Phasing software	PHASER (2.7.12)
Refinement software	PHENIX (dev_2481)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.485	61.485	2.710
High resolution limit [Å]	2.640	11.800	2.640
Rmerge	0.084	0.023	0.931
Rmeas	0.101
Total number of observations	131043
Number of reflections	40496
<I/σ(I)>	11.69	32.39	1.23
Completeness [%]	99.4	95.9	98.3
Redundancy	3.236	3.133	3.09
CC(1/2)	0.997	0.999	0.477

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	0.1M TRIS-HCL PH 7.0, 0.9M ammonium sulfate