9UAH

Crystal structure of the OkaE-W79A 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	75.775, 116.368, 127.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.700 - 2.500
R-factor	0.1766
Rwork	0.174
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.650
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]	48.700	2.591
High resolution limit [Å]	2.500	2.501
Rmerge	0.160	0.571
Rmeas	0.174	0.618
Number of reflections	39313	3740
<I/σ(I)>	16.53	4.47
Completeness [%]	99.3
Redundancy	6.8
CC(1/2)	0.995	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	298	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; 14.6% PEG 500 MME, 7.4% PEG 20,000