9IFY

FSP1 (tetrapod ancestor) bound to FAD and NAD+ and coenzyme Q1

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	2024-02-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96546
Spacegroup name	P 1 21 1
Unit cell lengths	43.513, 79.146, 112.069
Unit cell angles	90.00, 98.79, 90.00

Refinement procedure

Resolution	37.810 - 1.700
R-factor	0.18998
Rwork	0.188
R-free	0.22585
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.474
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]	37.810	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.044	0.681
Rmeas	0.054	0.844
Rpim	0.031	0.491
Total number of observations		10946
Number of reflections	79096	4248
<I/σ(I)>	8.9	1.1
Completeness [%]	95.8
Redundancy	2.7	2.6
CC(1/2)	0.998	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.06 M MgCl2, 0.06 CaCl2, 0.1 M imidazole/MES monohydrate (acid) pH 6.5, 20.0% PEG500* MME, 10% PEG20000