Table 1. Data Collection and Refinement Statistics.

	INPP5B
	BiPh(3,3′,4,4′,5,5′)P6	Bz(1,2,4,5)P4
PDB ID	5A7I	5A7J
Data Collection
synchrotron	BESSY	BESSY
beamline	BL14.1	BL14.1
wavelength (Å)	0.91841	0.91841
resolution range (Å)	34.29–2.89	48.48–2.90
(outest shell)	(3.05–2.89)	(3.06–2.9)
space group	P41212	P21
unit-cell dimensions (Å)	a = 96.97	a = 52.26
	b = 96.97	b = 94.44
	c = 152.14	c = 78.31
unit-cell angles (deg)	α = β = γ = 90	α = γ = 90, β = 106.32
completeness (%)	99.9 (100.0)	99.7 (99.7)
unique reflections	16922	16223
mean (I)/SD (I)a	21.2 (2.2)	6.9 (2.3)
redundancy	7.0 (7.2)	3.6 (3.6)
Rmeas (%)b	7.5 (90.7)	19.4 (67.9)
Refinement
resolution range (Å)	34.29–2.89	48.48–2.90
(outest shell)	(2.97–2.89)	(3.10–2.90)
Rcryst (%)c	19.8 (33.8)	20.2 (21.9)
Rfree (%)d	22.3 (34.5)	25.0 (31.0)
Model Content
protein atoms	2545	4971
ligand atoms	42	52
metal atoms	1	0
water molecules	28	76
others	16	26
average B factors (Å2)
protein atoms	83.59	39.10
ligand atoms	76.44	65.84
metal atoms	66.37	n.d.
water molecules	71.94	19.15
other atoms	111.59	63.89
r.m.s.d. bonds (Å)	0.007	0.008
r.m.s.d. angles (deg)	1.191	1.000
Ramachandran plot (%)e
(favored, outliers)	95.82, 0.32	94.95, 0

^aMean (I)/SD is the mean ratio for all reflections of ⟨Ih⟩/SD ⟨Ih⟩, where for each unique reflection h, ⟨Ih⟩ is the weighted mean of measured Ih, and SD ⟨Ih⟩ is the mean of estimated error SD(I).

^bR_meas =

^cR_cryst = , where F_obs and F_calc are the observed and calculated structure factors, respectively.

^dR_free is the same as R_cryst but based on a subset of 5% (5.1% and 5.0% for INPP5B-BiPh(3,3′,4,4′,5,5′)P₆ and INPP5B-Bz(1,2,4,5)P₄, respectively) of reflections omitted during refinement.

^eValues were computed by Molprobity (ref (26)).