9IG3

Fe/alpha-KG-Dependent Decarboxylase TraH in complexes with Mn2+, alpha-KG, and Substrate

This is a non-PDB format compatible entry.

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	76.350, 76.350, 223.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.970 - 2.890
R-factor	0.2426
Rwork	0.240
R-free	0.29280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.522
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev.5306)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.720	3.070
High resolution limit [Å]	2.890	2.890
Number of reflections	28044	4514
<I/σ(I)>	7.19
Completeness [%]	99.8
Redundancy	13.5
CC(1/2)	0.992	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.1M CHES pH 9.5, 30%(w/v) PEG 3000