5EJ5

EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 1.5 h

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	90.760, 90.800, 170.100
Unit cell angles	75.79, 83.29, 64.34

Refinement procedure

Resolution	33.759 - 2.300
R-factor	0.1857
Rwork	0.183
R-free	0.23430
RMSD bond length	0.008
RMSD bond angle	1.141
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.280	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.101	0.240
Number of reflections	194725
<I/σ(I)>	5.8	2.8
Completeness [%]	92.4	95.5
Redundancy	1.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	0.16 M magnesium formate, 1% tascimate pH 7.0, 0.02 M HEPES pH 7.0, 14% PEG 3350 and 2% PEG MME 5000