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. 2021 Feb 10;478(3):579–595. doi: 10.1042/BCJ20200415

Table 1. Data collection and refinement statistics.

Pf12p Pf12p-B9 Pf12p-D9
Data collection statistics
 Wavelength (Å) 0.953647 0.953725 0.953649
 Resolution range (Å) 47.26–2.79
(2.96–2.79)
48.45–2.00
(2.12–2.00)
42.75–3.25
(3.44–3.25)
 Space group P212121 P212121 P212121
 Cell axes (Å) (a, b, c) 52.0, 74.2, 183.9 85.0, 107.0, 114.0 62.0, 67.1, 111.0
 Cell angles (°) (α, γ, β) 90, 90, 90 90, 90, 90 90, 90, 90
 Completeness (%) 99.7 (98.8) 100.0 (99.9) 99.8 (99.3)
 Total no. of reflections 134 842 (20 758) 978 968 (159 626) 101 019 (15 665)
 Unique reflections 18 315 (2880) 70 873 (11 300) 7710 (1207)
 Redundancy 7.3 (7.2) 13.8 (14.1) 13.1 (13.0)
Rmeas (%) 19.7 (159.8) 20.3 (148.7) 16.0 (210.0)
 CC1/2 (%) 99.5 (71.7) 99.8 (70.2) 99.9 (74.1)
I/σ 8.44 (1.14) 10.73 (1.60) 13.51 (1.44)
 Wilson B (Å2) 63.12 34.60 99.23
Refinement statistics
Rwork/Rfree (%) 25.0/29.5 18.0/21.7 24.5/28.6
 No. of atoms
 Protein 4078 6125 2756
 Water 10 593 0
 Citrate 72
 B factors (Å2)
 Chain A 71.2 35.6 105.9
 Chain B 67.6 35.0 112.6
 Chain C 66.2 33.4
 Chain D 37.8
 Water 10 41.2 0
RMDS
 Bond lengths (Å) 0.003 0.008 0.003
 Bond angles (°) 0.625 0.932 0.578
 PDB ID 7KJ7 7KJH 7KJI