8IXT

Rat Transcobalamin in Complex with Glutathionylcobalamin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-13
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	51.100, 55.060, 143.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.450 - 1.200
R-factor	0.1609
Rwork	0.161
R-free	0.17050
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.991
Data reduction software	XDS (JAN 10 2022)
Data scaling software	XSCALE (JAN 10 2022)
Phasing software	HKL2Map (0.4.e-beta)
Refinement software	PHENIX (1.20-4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.500	43.700	1.230
High resolution limit [Å]	1.200	5.370	1.200
Rmerge	0.090	0.042	1.770
Rmeas	0.092	0.043	1.798
Number of reflections	127252	1604	9213
<I/σ(I)>	22.44	84.5	2.25
Completeness [%]	99.9
Redundancy	43.7
CC(1/2)	1.000	1.000	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	20 % PEG 3000 0.1M Sodium citrate pH 5.5