5EJ7

EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 21 s

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	2015-06-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	90.600, 90.611, 167.570
Unit cell angles	76.08, 83.45, 63.44

Refinement procedure

Resolution	32.447 - 1.560
R-factor	0.1477
Rwork	0.146
R-free	0.18300
RMSD bond length	0.006
RMSD bond angle	1.062
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]	33.490	1.580
High resolution limit [Å]	1.560	1.560
Rmerge	0.063	0.192
Number of reflections	634680
<I/σ(I)>	6.4
Completeness [%]	96.0	91.3
Redundancy	2	2

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