9IG4

Crystal structure of Fe/alphaKG-Dependent Decarboxylase TraH in complexes with Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97626
Spacegroup name	P 43 21 2
Unit cell lengths	77.210, 77.210, 223.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.060 - 2.100
R-factor	0.2004
Rwork	0.199
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.878
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev.3206)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.060	2.230
High resolution limit [Å]	2.100	2.100
Number of reflections	75250	12176
<I/σ(I)>	13.58
Completeness [%]	100.0
Redundancy	14
CC(1/2)	0.999	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.1M Sodium cacodylate pH 6.5, 5%(w/v) PEG 8000, 40%(v/v) MPD