9S6C

B12 Binding protein - BtuK1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 21
Unit cell lengths	52.739, 129.984, 164.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.287 - 1.817
Rwork	0.163
R-free	0.19170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.150
Data reduction software	autoPROC
Data scaling software	Aimless (0.8.2)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.850	1.710
High resolution limit [Å]	1.650	1.650
Number of reflections	131196	131196
<I/σ(I)>	11.4
Completeness [%]	96.2
Redundancy	1
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294.15	2mM Lanthanides, 0.1M Buffer systems 4 (MOPSO, Bis-Tris) (pH 6.5), 32.5% v/v Precipitant Mix 6 (25% w/v PEG 4000, 40% w/v 1,2,6 Hexanetriol)