9UAD

Crystal structure of the OkaE-M64A mutant with a-ketoglutarate and okaramine A

This is a non-PDB format compatible entry.

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	2024-12-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979137
Spacegroup name	P 21 21 21
Unit cell lengths	76.384, 107.709, 134.792
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.730 - 2.440
R-factor	0.1781
Rwork	0.175
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.606
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]	38.730	2.530
High resolution limit [Å]	2.440	2.440
Rmerge	0.216	0.586
Rmeas	0.234	0.639
Number of reflections	41980	4076
<I/σ(I)>	15.32	4.38
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.994	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	293	0.1 M MES, 0.1 Imidazole; pH 6.3; 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; 16% PEG 500 MME, 8% PEG 20,000