9Q41

Crystal Structure of Human Apo Spermidine Synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8857
Spacegroup name	C 2 2 21
Unit cell lengths	118.568, 133.704, 82.369
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.640 - 1.950
R-factor	0.1665
Rwork	0.165
R-free	0.21310
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.002
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.640	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.237	1.795
Rmeas	0.256	1.940
Rpim	0.097	0.730
Number of reflections	47994	3452
<I/σ(I)>	4.8
Completeness [%]	100.0	100
Redundancy	6.9	7
CC(1/2)	0.978	0.457

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	294	0.05-0.25 M sodium sulfate, 0.1 M Bis-Tris pH 5.5, 6.5-23% PEG 3350, 10 mg/ml protein concentration