TABLE 2.
Data collection statistics
| Date set | Values for the followinga: |
|||||
|---|---|---|---|---|---|---|
| Apo-AA12 | K2PtCl4 | HgCl2 | HAuCl4 | Holo-AA12 | AA8 | |
| Beamline | PF BL-5A | PF BL17A | PF-AR NE3A | PF-AR NE3A | Spring-8 BL41XU | PF-AR NW12A |
| Wavelength (Å) | 1.00 | 0.98 | 1.00 | 1.00 | 0.9 | 1.00 |
| Space group | P21 | P21 | P21 | P21 | P212121 | P21 |
| Cell dimensions | ||||||
| a (Å) | 62.0 | 61.9 | 62.0 | 62.0 | 85.3 | 39.2 |
| b (Å) | 47.4 | 47.3 | 47.3 | 47.4 | 95.6 | 59.8 |
| c (Å) | 69.1 | 69.3 | 69.3 | 69.3 | 106.2 | 40.9 |
| β (°) | 115.8 | 116.3 | 116.2 | 116.2 | 90.0 | 90.7 |
| Resolution (Å) | 50.0–1.5 (1.59–1.50) | 50.0–1.90 (1.93–1.90) | 50.0–2.00 (2.03–2.00) | 50.0–2.00 (2.03–2.00) | 71.1–1.30 (1.38–1.30) | 50.0–2.0 (2.12–2.00) |
| Redundancyc | 5.1 (5.0) | 3.6 (3.6) | 3.7 (3.4) | 3.7 (3.4) | 3.8 (3.7) | 3.3 (3.4) |
| No. of unique reflections | 60,275 | 28,424 | 24,520 | 24,641 | 421,501 | 24,560 |
| Completeness (%) | 99.4 (98.3) | 99.4 (99.6) | 99.9 (100) | 99.7 (99.8) | 99.1 (95.6) | 97.5 (97.5) |
| Average I/σ(I)b | 32.9 (17.4) | 12.8 (2.8) | 21.1 (8.8) | 21.3 (7.4) | 10.8 (2.16) | 8.93 (2.57) |
| Rsym (%) | 3.6 (8.1) | 11.3 (40.3) | 6.9 (14.9) | 6.0 (15.3) | 6.2 (50.1) | 7.3 (31.0) |
a
The values in parentheses represent those for the highest-resolution shell.
b
I, intensity of a reflection.
c
Multiplicity of observation. Number of observed reflections over number of unique reflections.