Table 1. Data collection and processing.
Values in parentheses are for the outer shell.
| LMO4 | Thermolysin | Lysozyme | ||||||
|---|---|---|---|---|---|---|---|---|
| Diffraction source | I23, DLS | I23, DLS | I23, DLS | |||||
| Wavelength (Å) | 1.2853 | 1.2874 | 1.3051 | 3.0685 | 3.0803 | 4.1328 | 4.5920 | 5.1660 |
| Temperature (K) | 80 | 80 | 80 | 80 | 80 | 80 | 80 | 80 |
| Detector | PILATUS 12M | PILATUS 12M | PILATUS 12M | PILATUS 12M | PILATUS 12M | PILATUS 12M | PILATUS 12M | PILATUS 12M |
| Detector distance (mm) | 250 | 250 | 250 | 250 | 250 | 250 | 250 | 250 |
| Rotation range (°) | 0.1 | 0.1 | 0.1 | 0.1 | 0.1 | 0.1 | 0.1 | 0.1 |
| Total rotation range (°) | 360 | 360 | 360 | 360 | 360 | 360 | 360 | 360 |
| Exposure time (s) | 0.1 | 0.1 | 0.1 | 0.1 | 0.1 | 0.1 | 0.1 | 0.1 |
| Space group | P312 | P312 | P312 | P6122 | P6122 | P43212 | P43212 | P43212 |
| a, b, c (Å) | 61.8, 61.8, 93.4 | 61.8, 61.8, 93.4 | 61.8, 61.8, 93.4 | 93.2, 93.2, 129.0 | 93.2, 93.2, 129.0 | 79.0, 79.0, 36.9 | 79.0, 79.0, 36.9 | 79.0, 79.0, 36.9 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Mosaicity (°) | 0.33 | 0.33 | 0.34 | 0.22 | 0.21 | 0.07 | 0.07 | 0.07 |
| Resolution range† (Å) | 53.5–1.8 (1.83–1.80) | 53.5–1.8 (1.83–1.80) | 53.5–1.8 (1.83–1.80) | 129.4–2.1 (2.14–2.10) | 129.4–2.1 (2.14–2.10) | 79.0–2.7 (2.75–2.70) | 79.6–3.0 (3.05–3.00) | 79.0–3.4 (3.43–3.37) |
| Total No. of reflections | 362632 | 362489 | 361249 | 457328 | 454628 | 47562 | 34438 | 24281 |
| No. of unique reflections | 19257 | 19257 | 19257 | 20017 | 20029 | 2680 | 1980 | 1421 |
| Completeness (%) | 100 (100) | 100 (100) | 100 (100) | 100 (99.7) | 100 (99.7) | 76.8 (60.4) | 76.7 (51.6) | 77.4 (65.4) |
| Multiplicity | 18.8 (17.9) | 18.8 (17.9) | 18.8 (17.9) | 22.8 (17.2) | 22.7 (15.6) | 17.7 (7.3) | 17.4 (7.7) | 17.1 (6.1) |
| 〈I/σ(I)〉 | 18.4 (0.5) | 19.6 (0.7) | 21.1 (0.7) | 19.3 (4.2) | 20.8 (4.3) | 62.0 (18.9) | 44.4 (21.6) | 36.1 (18.7) |
| CC1/2 | 1 (0.35) | 1 (0.46) | 1 (0.61) | 0.99 (0.98) | 0.99 (0.98) | 0.99 (0.99) | 0.99 (0.99) | 0.99 (0.99) |
| R r.i.m. | 0.11 (3.08) | 0.09 (2.45) | 0.08 (1.91) | 0.11 (0.27) | 0.11 (0.28) | 0.07 (0.12) | 0.08 (0.082) | 0.09 (0.072) |
| Wilson B factor (Å2) | 28.5 | 28.7 | 28.5 | 25.2 | 26.0 | 19.4 | 19.8 | 20.7 |
†
Maximum resolution was selected with an outer shell CC1/2 > 0.35 or was limited by the detector.