7PRL

MUC2 D1 with Cu(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-09-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.8731
Spacegroup name	C 2 2 21
Unit cell lengths	95.900, 141.210, 68.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.172 - 2.480
R-factor	0.19
Rwork	0.186
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6tm2
Data reduction software	HKL-3000
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.170	2.569
High resolution limit [Å]	2.480	2.480
Number of reflections	16761	1650
<I/σ(I)>	9.69
Completeness [%]	99.2
Redundancy	1.9
CC(1/2)	0.997	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	292	30 mM MgCl2, 8% polyethylene glycol 3350, 100 mM citrate buffer, pH 5.4, and 10% glycerol