7Q4S

Structure of the Pseudomonas aeruginosa bacteriophage JG004 endolysin Pae87, apo form.

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	2019-12-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	59.247, 68.085, 93.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.018 - 2.500
Rwork	0.222
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nm7
RMSD bond length	0.002
RMSD bond angle	1.121
Data reduction software	DIALS (2.2.10)
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]	59.250	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.183	0.990
Rmeas	0.202	1.087
Rpim	0.083	0.444
Number of reflections	13640	1509
<I/σ(I)>	6	2.1
Completeness [%]	99.7	99.1
Redundancy	5.7	5.7
CC(1/2)	0.991	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	294	20% (w/v) PEG 8000, 0.1 M CHES-NaOH, 20 mM Tris-HCl