8CK2

MUC2 CysD1 G1352S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.972
Spacegroup name	P 21 21 2
Unit cell lengths	55.008, 58.962, 27.659
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.660 - 1.500
R-factor	0.1888
Rwork	0.186
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.982
Phasing software	PHENIX (1.20_4459)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.660	1.554
High resolution limit [Å]	1.500	1.500
Rmerge	0.068	0.722
Rpim	0.042	0.440
Number of reflections	14727	1443
<I/σ(I)>	8.95	1.19
Completeness [%]	97.9
Redundancy	3.2
CC(1/2)	0.997	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	100 mM sodium acetate buffer, pH 4.6, 12% ethanol, 1% PEG 200, 5% glycerol