9HRJ

Structure of YIUA from Yersinia ruckeri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	120
Detector technology	PIXEL
Collection date	2024-07-12
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97627
Spacegroup name	P 1 21 1
Unit cell lengths	42.598, 68.474, 112.908
Unit cell angles	90.00, 96.75, 90.00

Refinement procedure

Resolution	112.130 - 2.140
R-factor	0.21233
Rwork	0.208
R-free	0.30970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.274
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	112.160	2.570
High resolution limit [Å]	2.140	2.140
Rmerge	0.250	0.840
Rpim	0.160	0.640
Number of reflections	16162	808
<I/σ(I)>	5.7	1.8
Completeness [%]	86.1	53.1
Redundancy	6.2
CC(1/2)	0.990	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 M Tris-HCl, 25% (w/v) PEG 3350