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 |