. Author manuscript; available in PMC: 2016 Nov 26.

Published in final edited form as: Nature. 2016 May 4;533(7604):561–564. doi: 10.1038/nature17666

Extended Data Table 1.

Data processing and refinement statistics.

	Native^*	[PW₁₂O₄₀³⁻]^†	[(CH₃)₃Pb⁻]	(Ta₆Br₁₂²⁺)
Data collection
Beamline	19-ID-D/23-ID-D^‡	19-ID-D	19-ID-D	19-ID-D
Space group	I 222	I 222	I 222	I 222
Cell dimensions
a, b, c (Å)	173.6, 224.8, 253.3	175.5, 227.5, 254.5	174.6, 225.9, 253.4^§ 173.6, 225.9, 252.7^‖	176.0, 228.0, 253.7
Resolution (Å)	50–3.9 (3.93–3.9)	50–5.0 (5.04–5.0)	50–4.5 (4.54–4.5)	50–5.0 (5.04–5.0)
R_sym or R_merge	16.1 (NA)	13.5 (33.5)	8.7 (NA)^§ 7.1 (NA)^‖	8.8 (NA)
<I>/<σI>	8.8 (0.15)	5.1 (1.4)	8.0 (0.45)^§ 6.1 (0.18)^‖	8.6 (0.50)
Completeness (%)	99.4 (84.2)	94.4 (47.3)	97.4 (55.9)^§ 94.7 (54.7)^‖	81.1 (18.3)
Redundancy	18.9 (2.5)	3.1 (1.7)	6.0 (2.3)^§ 4.3 (2.5)^‖	3.7 (1.3)

Refinement
Resolution (Å)	25–3.94
No. reflections	34889
R_work/ R_free	24.5/32.9
No. atoms
Protein	18151
R.m.s deviations
Bond lengths (Å)	0.010
Bond angles (°)	1.64

Number of crystals: 19.

^†

Number of crystals: 2.

^‡

MAR CCD detector was used.

^§

Data collected at peak wavelength: 13.053 keV.

^‖

Data collected at inflection wavelength: 13.043 keV.