9NZ6

Oxidoreductase isolated from Xanthomonas citri pv. citri A306

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-11
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97718
Spacegroup name	P 2 21 21
Unit cell lengths	129.620, 129.756, 228.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.840 - 2.980
R-factor	0.2355
Rwork	0.231
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.426
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	112.885	3.280
High resolution limit [Å]	2.978	2.982
Rmerge	0.540	2.309
Rmeas	0.561	2.396
Rpim	0.150	0.639
Number of reflections	55278	2764
<I/σ(I)>	5.5	1.6
Completeness [%]	94.7	64.9
Redundancy	13.6	14
CC(1/2)	0.984	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291.15	17% PEG 6000, 0.2 M NaCl, 0.05 M MOPS