8UEN

Crystal structure of Corynebacterium ulcerans endo-beta-N-acetylglucosaminidase catalytically inactive CU43 D187A-E189A at 2.3 A (P 21 21 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	202.950, 58.762, 74.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.100 - 2.300
R-factor	0.2234
Rwork	0.222
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.506
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.740	2.360
High resolution limit [Å]	2.300	2.300
Rpim	0.094
Number of reflections	74936	2444
<I/σ(I)>	5.4
Completeness [%]	98.0	83
Redundancy	13	9.4
CC(1/2)		0.391

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.12 M Ethylene glycols, 0.1 M Tri-BICINE pH8.5, 20% v/v PEG 500 MME; 10 % w/v PEG 20000 (Morpheus E9)