8OKV

lipoprotein BT2095 from Bacteroides thetaiotamicron bound to cyanocobalamin CnCbl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	74.770, 131.040, 179.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.123 - 2.600
Rwork	0.218
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.466
Data reduction software	xia2
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.700	2.680
High resolution limit [Å]	2.600	2.600
Rpim	0.060
Number of reflections	54678	4401
<I/σ(I)>	11.8	1.1
Completeness [%]	99.4
Redundancy	13.2
CC(1/2)	0.990	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Optimised from Index H8, 0.1MgFormate 15% PEG 3350