9J85

The complex structure of okaE with a-ketoglutarate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-30
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	76.417, 108.092, 134.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.130 - 2.150
R-factor	0.1912
Rwork	0.190
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.647
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.21.1.5286)
Refinement software	PHENIX (1.21.1.5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.130	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.120	0.750
Rmeas	0.130	0.810
Rpim	0.053	0.320
Number of reflections	61388	6018
<I/σ(I)>	12.18	2.95
Completeness [%]	99.8	99.36
Redundancy	6.3	6.5
CC(1/2)	0.997	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M imidazole, 0.1M MES monohydrate, pH=6.5, 20% PEG 500 MME, 10% PEG 20000, 0.02M D-Glucose, 0.02M D-Mannose, 0.02M DGalactose, 0.02M L-Fucose, 0.02M D-Xylose, 0.02M N-Acetyl-D-Glucosamine