9UAC

Crystal structure of the OkaE-M64A mutant with a-ketoglutarate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978530
Spacegroup name	P 21 21 21
Unit cell lengths	76.229, 107.843, 134.727
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.690 - 2.720
R-factor	0.1966
Rwork	0.194
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.472
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]	38.690	2.817
High resolution limit [Å]	2.720	2.720
Rmerge	0.166	0.531
Rmeas	0.175	0.558
Number of reflections	30527	3000
<I/σ(I)>	17.06	5.58
Completeness [%]	99.9
Redundancy	10.2
CC(1/2)	0.996	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	293	0.1 M MES, 0.1 Imidazole; pH 5.7; 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