8DEB

Bacteroides fragilis carboxyspermidine dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	108.228, 85.807, 98.212
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.880 - 1.940
R-factor	0.1795
Rwork	0.179
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rl6
RMSD bond length	0.003
RMSD bond angle	0.633
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]	39.880	1.990
High resolution limit [Å]	1.940	1.940
Rpim	0.054	0.421
Number of reflections	67320	4147
<I/σ(I)>	10.4	2.1
Completeness [%]	99.2	92.4
Redundancy	13.3	12.4
CC(1/2)	0.997	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.17 M ammonium acetate, 0.085 M sodium citrate, HCl, pH 5.6, 25.5% (w/v) PEG 4000, and 15% (v/v) glycerol and 0.05 M ammonium chloride