9GV8

N-Acyl-D-amino-acid deacylase (D-acylase) from Klebsiella pneumoniae in the absence of glycerol

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	2024-06-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	101.422, 101.422, 124.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.910 - 2.600
R-factor	0.2282
Rwork	0.226
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.497
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.910	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.167	2.739
Rmeas	0.185	3.117
Rpim	0.079	1.446
Total number of observations	120947
Number of reflections	23169	2677
<I/σ(I)>	5.4	0.4
Completeness [%]	99.3
Redundancy	5.2	4.3
CC(1/2)	0.991	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.5	HRI: 0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8,000