Table 1 Cryo-EM data collection, model refinement and validation statistics

From: Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate

	ATP state-1			ATP state-2			ADP					Apo
ISP-ED present in solution	No			No			Yes					No
Data collection
Microscope and camera	Titan Krios, K2			Titan Krios, K3			Titan Krios, K3					Titan Krios, K2
Magnification	x29,000			x105,000			x105,000					x14,000
Voltage (kV)	300			300			300					300
Frames/micrograph	40			50			50					38
Electron exposure (e^-/Å²)	50			54.4			54.4					40
Defocus range (µm)	1–2.5			0.7–2.0			0.7–2.0					1.25–2.5
Pixel size (Å/pixel)	0.858			0.415 (0.83 binned)			0.415 (0.83 binned)					0.858 (1.72 binned)
Total no. of micrographs	6912			1839			6900					2314
Data processing
Reconstruction software	cisTEM			CryoSparc			CryoSparc					CryoSparc
Extracted particles (no.)	997,041			33,415			973,807					1,430,475
Selected 2D particles (no.)	337,848			28,638			72,693					212,961
Particles for final map (no.)	200,466			26,234			37,681				8,300	212,961
Starting model	De novo			De novo			De novo				De novo	De novo
ISP-ED found in map	-	-		-	-		No		No		yes	-
Symmetry imposed	C1	C7		C1	C7		C1		C7		C1	C1
Map resolution (Å)^a	3.77	3.13		3.46	3.02		3.74		3.18		7.2	4.40
Map resolution range (Å)	3–8	2.5–4.5		3–7	2.5–6.5		9.5–3.5		6.0–3.0			9–4.0
Map sharpening B-factor (Å²)	−90	−90		−59	−96		−62		−97		−293	−180
PHENIX refinement statistics
Initial model used	6UKS			6UKS			6UKO					6UKO
Model composition
Non-hydrogen Atoms	20,580		20,580	23,702		23,702	22,799	22,722		23,696		21,126
Residues	2520		2520	2933		2933	2821	2814		2937		2618
Ligands	7Mg²⁺, 7ATP		7Mg²⁺, 7ATP	7Mg²⁺, 7ATP		7Mg²⁺, 7ATP	7ADP	7ADP		7ADP 1FES		0
Overall B-factor (Å²)
Protein	211.5		178.3	135.2		145.1	163.3	155.1		377.5		207.0
Ligands	170.8		136.6	87.5		100.5	169.8	158.5		347.1
RMSD deviations
Bond length (Å)	0.003		0.002	0.002		0.004	0.002	0.002		0.003		0.004
Bond angle (°)	0.608		0.539	0.438		0.545	0.586	0.572		0.741		0.928
FSC model vs. map = 0.5. (Å)	4.48		3.46	3.84		3.26	4.27	3.55				4.80
Real-space correlation
CC (mask)	0.82		0.86	0.87		0.89	0.83	0.88		0.65		0.83
CC (volume)	0.81		0.85	0.85		0.88	0.82	0.87		0.58		0.82
CC (peaks)	0.67		0.69	0.73		0.74	0.65	0.68		0.39		0.64
Mean CC for ligands	0.93		0.92	0.92		0.91	0.84	0.84		0.71		-
Validation
MolProbity score	1.67	1.64		2.02		1.87	1.32	1.63		2.13		1.73
Clash score	6.78	6.17		7.80		10.44	5.84	7.81		16.53		11.05
Rotamer outliers (%)	0.18	0.23		2.52		0.00	0.00	0.00		0.00		0.00
Ramachandran plot
Favored (%)	95.7	95.7		95.8		95.2	98.0	96.7		93.9		97.0
Allowed (%)	4.0	4.0		4.2		4.8	2.0	3.3		5.9		3.0
Disallowed (%)	0.3	0.3		0.0		0.0	0.0	0.0		0.2		0.0
Data deposition
PDB	8TI0	8T5U		8TPL		8TP1	8T7U	8T14				8TBY
EMD	41276	41061		41476		41462	41095	40954		41609		41148

^amap resolution was based on FSC threshold of 0.143.

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Table 1 Cryo-EM data collection, model refinement and validation statistics

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