8URA

Crystal structure of Corynebacterium ulcerans endo-beta-N-acetylglucosaminidase catalytically inactive CU43 D187A-E189A at 2.6 A resolution (space group P21)

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	2023-02-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99999
Spacegroup name	P 1 21 1
Unit cell lengths	58.514, 70.897, 73.734
Unit cell angles	90.00, 92.53, 90.00

Refinement procedure

Resolution	44.840 - 2.590
R-factor	0.1971
Rwork	0.191
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.072
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.590	2.590
Rmerge	0.132	0.632
Rmeas	0.144	0.689
Rpim	0.056	0.272
Number of reflections	18310	1810
<I/σ(I)>	14.15
Completeness [%]	96.6	97.8
Redundancy	6.5	6.2
CC(1/2)	0.991	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	0.1 M Ammonium acetate 0.1 M BIS-TRIS pH 5.5 17% (w/v) PEG 10,000 (JCSG+,H6)