9M2M

the crystal structure of okaE

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	2022-05-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	76.609, 108.697, 135.427
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.590 - 2.200
R-factor	0.1815
Rwork	0.179
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.621
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.21.1.5286)
Refinement software	PHENIX (1.21.1.5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.600	2.275
High resolution limit [Å]	2.200	2.200
Rmerge	0.110	0.600
Rmeas	0.110	0.660
Rpim	0.041	0.270
Number of reflections	111578	17680
<I/σ(I)>	11.8	3.3
Completeness [%]	99.8
Redundancy	3.4
CC(1/2)	0.998	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M imidazole, 0.1M MES monohydrate, pH=6.5, 20% PEG 500 MME, 10% PEG 20000, 0.02M D-Glucose, 0.02M D-Mannose, 0.02M DGalactose, 0.02M L-Fucose, 0.02M D-Xylose, 0.02M N-Acetyl-D-Glucosamine