8PUN

Old Yellow Enzyme from the thermophilic Ferrovum sp. JA12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97856
Spacegroup name	P 41 2 2
Unit cell lengths	187.712, 187.712, 129.317
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.300 - 2.300
R-factor	0.1811
Rwork	0.180
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.578
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	102408	10081
<I/σ(I)>	17.09
Completeness [%]	99.4
Redundancy	12.9
CC(1/2)	0.998	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	Lanthanides mix (0.0005M Yttrium(III) chloride hexahydrate, 0.0005M Erbium(III) chloride hexahydrate, 0.0005M Terbium(III) chloride hexahydrate, 0.0005M Ytterbium(III) chloride hexahydrate), MOPSO, Bis-Tris, PEG 20000, Trimethylolpropane, NDSB 195