9UAF

Crystal structure of the OkaE-M71A mutant with a-ketoglutarate

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	2024-10-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978610
Spacegroup name	P 21 21 21
Unit cell lengths	76.415, 107.826, 134.587
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.730 - 2.540
R-factor	0.1878
Rwork	0.185
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.495
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.050	2.631
High resolution limit [Å]	2.540	2.540
Rmerge	0.270	0.580
Rmeas	0.281	0.604
Number of reflections	37513	3662
<I/σ(I)>	7.55	3.64
Completeness [%]	99.8
Redundancy	12.7
CC(1/2)	0.977	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	293	0.1 M MES, 0.1 Imidazole; pH 5.9; 0.02 M D-Glucose, 0.02 M D-Mannose; 0.02 M D-Galactose, 0.02 M L-Fucose, 0.02 M D-Xylose, 0.02 M N-Acetyl-D-Glucosamine; 15.4% PEG 500 MME, 7.6%% PEG 20,000