9I49

Cobalamin-binding chimera 10 (Cob10) (crystallization condition 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-03
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	50.480, 42.130, 57.390
Unit cell angles	90.00, 90.97, 90.00

Refinement procedure

Resolution	37.580 - 1.820
R-factor	0.212
Rwork	0.210
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.511
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.580	1.887
High resolution limit [Å]	1.820	1.822
Rmerge	0.082	1.800
Rmeas	0.097	0.999
Rpim	0.050	0.999
Number of reflections	21459	1927
<I/σ(I)>	9.23	0.47
Completeness [%]	98.2	89.62
Redundancy	3.6	3.6
CC(1/2)	0.998	0.312

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291.15	0.1 M imidazole pH 8.0, 0.2 M zinc acetate, 2.5 M sodium chloride