8E5H

Old Yellow Enzyme 5 (PcOYE5) from Pseudomonas chloritidismutans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	50.417, 70.090, 97.877
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.940 - 1.270
R-factor	0.1366
Rwork	0.136
R-free	0.15630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.940	48.940	1.290
High resolution limit [Å]	1.270	6.940	1.270
Rmerge	0.102	0.062	1.127
Rmeas	0.106	0.066	1.176
Rpim	0.029	0.020	0.329
Total number of observations	1233665	7931	51859
Number of reflections	92385	667	4290
<I/σ(I)>	12.7	26.4	2.4
Completeness [%]	99.7	99.9	94.8
Redundancy	13.4	11.9	12.1
CC(1/2)	0.998	0.989	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	25% PEG 3350, 0.1M Bis-Tris pH 5.5