9IG9

FSP1 (tetrapod ancestor) bound to FAD and NAD+ and compound 3

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.965460
Spacegroup name	P 1 21 1
Unit cell lengths	43.850, 79.335, 113.373
Unit cell angles	90.00, 99.08, 90.00

Refinement procedure

Resolution	43.340 - 1.940
R-factor	0.21763
Rwork	0.215
R-free	0.26521
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.466
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.340	1.980
High resolution limit [Å]	1.940	1.940
Rmerge	0.125	0.941
Rmeas	0.163	1.219
Rpim	0.104	0.766
Total number of observations		6294
Number of reflections	53297	3133
<I/σ(I)>	4.7	0.8
Completeness [%]	93.5
Redundancy	2	2
CC(1/2)	0.955	0.327

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.12 M diethylene glycole, 0.12 M triethylene glycole, 0.12 tetraethylene glycole, 0.12 pentaethylene glycole, 0.1 M tris (base)/bicine pH 8.5, 12.5% MPD, 12.5% PEG1000, 12.5% PEG3350