9UAE

Crystal structure of the OkaE-M71A mutant with coblat(II)

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	76.150, 107.663, 134.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.620 - 2.400
R-factor	0.2001
Rwork	0.198
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.492
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]	38.620	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.241	0.792
Rmeas	0.251	0.824
Number of reflections	44060	4320
<I/σ(I)>	7.75	2.78
Completeness [%]	99.9
Redundancy	12.7
CC(1/2)	0.988	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	293	0.1 M MES, 0.1 Imidazole; pH 6.1; 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; 16.6% PEG 500 MME, 8.44% PEG 20,000