8OL4

Structure of the C-terminal domains of the Bdellovibrio bacteriovorus Bd2439 fibre in complex with GlcNAc

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	84.219, 160.345, 52.075
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.130 - 1.840
R-factor	0.1672
Rwork	0.166
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.936
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.170	1.980
High resolution limit [Å]	1.840	1.840
Number of reflections	49745	2487
<I/σ(I)>	12.3
Completeness [%]	80.2
Redundancy	11.8
CC(1/2)	0.998	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M sodium iodide, 0.1 M Bis-Tris propane pH 8.5, 20 % w/v PEG 3350, 100 mM GlcNAc-MurNAc