5UDN

Phage-associated cell wall hydrolase PlyPy from Streptococcus pyogenes, space group P3121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976484
Spacegroup name	P 31 2 1
Unit cell lengths	122.130, 122.130, 89.430
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.291 - 1.971
R-factor	0.2012
Rwork	0.200
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5udm
RMSD bond length	0.006
RMSD bond angle	0.778
Data reduction software	XDS (VERSION May 1, 2016 BUILT=20160617)
Data scaling software	XSCALE (VERSION May 1, 2016 BUILT=20160617)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (dev_2481)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.291	68.291	2.020
High resolution limit [Å]	1.970	8.810	1.970
Rmerge	0.114	0.020	1.110
Number of reflections	54321
<I/σ(I)>	13.47	56.73	1.64
Completeness [%]	99.6	99.1	99.8
Redundancy	5.52	5.108	5.563
CC(1/2)	0.998	0.999	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	294	0.1M acetate PH 4.5, 1.0M ammonium hydrogen phosphate