Table 1. Crystallographic parameters and statistics of data collection.
Values in parentheses are for the highest resolution shell.
| LpAFP | Ca2+-free jsAFP | Ca2+-bound jsAFP | ||
|---|---|---|---|---|
| Data collection | For SAD phasing | For refinement | For refinement | For refinement |
| Beamline | SPring-8 BL-44B2 | PF NW12 | ||
| Wavelength (Å) | 1.7 | 1.0 | 1.0 | 1.0 |
| Space group | P212121 | P3121 (or P3221) | ||
| Unit-cell parameters (Å) | a = 43.3, b = 48.4, c = 59.7 | a = b = 66.0, c = 50.3 | a = b = 66.0, c = 49.8 | |
| Resolution range (Å) | 20.0–1.87 (1.94–1.87) | 20.0–1.34 (1.38–1.34) | 20.0–1.25 (1.32–1.25) | 20–1.06 (1.09–1.06) |
| Rmerge† | 0.054 (0.126) | 0.042 (0.097) | 0.052 (0.234) | 0.045 (0.229) |
| Observed reflections | 394868 | 358343 | 350515 | 595644 |
| Independent reflections | 17735 | 28592 | 34722 | 56733 |
| Completeness (%) | 89.5 (50.3) | 99.2 (96.9) | 98.3 (100.0) | 99.7 (100.0) |
| Multiplicity | 22.3 (15.3) | 12.5 (8.5) | 10.1 (10.4) | 10.5 (10.3) |
| 〈I/σ(I)〉 | 97.2 (27.4) | 48.2 (15.5) | 8.5 (3.2) | 10.1 (3.4) |
| Phasing power‡ | 1.532 | |||
| Figure of merit§ (centric/acentric) | 0.15/0.42 | |||
†
R
merge = 
, where 〈I(h)〉 is the mean intensity of a set of equivalent reflections.
‡
Phasing power = 〈|F H(calc)|/|E|〉, where F H(calc) is the calculated anomalous difference and E is the lack of closure.
§
Figure of merit after density modification.