9M2L

Crystal structure of okaE in complex with a-ketoglutarate and okaramine A at 2.5 angstroms resolution.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	76.121, 107.661, 134.569
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.950 - 2.550
R-factor	0.1872
Rwork	0.185
R-free	0.23190
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]	43.950	2.642
High resolution limit [Å]	2.550	2.551
Rmerge	0.140	0.660
Rmeas	0.160	0.780
Rpim	0.090
Number of reflections	69425	5352
<I/σ(I)>	8.14	2
Completeness [%]	99.9	99.75
Redundancy	3.5
CC(1/2)	0.995	0.858

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