7ZZK

Structure of the N-acetyl-D-glucosamine oxidase from Ralstonia Solanacearum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-03
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9655
Spacegroup name	P 21 21 21
Unit cell lengths	87.958, 105.009, 120.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 1.500
R-factor	0.1526
Rwork	0.151
R-free	0.17780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y08
RMSD bond length	0.015
RMSD bond angle	1.867
Data scaling software	Aimless (0.7.7)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.140	48.140	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.080	0.046	0.670
Rmeas	0.090	0.052	0.744
Rpim	0.039	0.024	0.319
Total number of observations	894285	5549	45993
Number of reflections	178041	1214	8774
<I/σ(I)>	12	30.2	2.4
Completeness [%]	99.7	98.6	100
Redundancy	5	4.6	5.2
CC(1/2)	0.998	0.996	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	19% PEG33350 0.19 M sodium nitrate