7Q4T

Structure of the Pseudomonas aeruginosa bacteriophage JG004 endolysin Pae87 bound to a peptidoglycan fragment.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	43.581, 61.173, 69.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.854 - 1.270
Rwork	0.130
R-free	0.16080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7q4s
RMSD bond length	0.007
RMSD bond angle	1.361
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP (11.7.02)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.210	1.290
High resolution limit [Å]	1.270	1.270
Rmerge	0.042	0.753
Rmeas	0.046	0.825
Rpim	0.018	0.330
Number of reflections	49510	2412
<I/σ(I)>	17.6	2
Completeness [%]	99.9	100
Redundancy	6.4	6
CC(1/2)	1.000	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	294	0.12 M Tris-HCl, 20% (w/v) PEG 5000 MME, 8% (v/v) ethylene glycol