9G5M

N-Acyl-D-amino-acid deacylase (D-acylase) from Klebsiella pneumoniae in an open conformation

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	2022-08-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	100.774, 100.774, 125.721
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.690 - 2.270
Rwork	0.157
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21.1-5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	125.720	2.330
High resolution limit [Å]	2.270	2.270
Rmerge	0.214	1.246
Number of reflections	34890	820
<I/σ(I)>	7.7
Completeness [%]	99.9
Redundancy	7.8	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8,000