9I4A

Cobalamin-binding chimera 10 (Cob10) (crystallization condition 2)

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	48.230, 42.910, 61.970
Unit cell angles	90.00, 92.45, 90.00

Refinement procedure

Resolution	25.550 - 2.020
R-factor	0.2387
Rwork	0.236
R-free	0.29470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.433
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]	25.590	2.092
High resolution limit [Å]	2.020	2.020
Rmerge	0.052	1.800
Rmeas	0.061	0.999
Rpim	0.032	0.999
Number of reflections	16774	1658
<I/σ(I)>	11.11	0.55
Completeness [%]	99.3	99.76
Redundancy	3.7	3.7
CC(1/2)	0.999	0.258

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291.15	0.1 M MES pH 6.0, 30% w/v 2-methyl-2,4-pentanediol