9TYW

Crystal structure of L,D-transpeptidase PA2854 from Pseudomonas aeruginosa

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	2021-07-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	105.415, 105.415, 115.878
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.690 - 2.630
R-factor	0.2006
Rwork	0.198
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.105
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.700	2.980
High resolution limit [Å]	2.630	2.630
Rpim	0.018	0.365
Number of reflections	9867	493
<I/σ(I)>	22.9	1.9
Completeness [%]	93.9
Redundancy	24.66
CC(1/2)	0.999	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	100 mM sodium acetate pH 4.6 and 1.1 M di-ammonium tartrate