Table 1. Crystal and data-collection statistics.
Values in parentheses are for the last shell.
| Crystal form | mEAG PAS form A | mEAG PAS form B | dmELK PAS |
|---|---|---|---|
| Crystal data | |||
| Matthews coefficient VM (Å3 Da−1) | 3.7 | 3.8 | 4.8 |
| Solvent content (%) | 67 | 68 | 73 |
| Crystal system | Hexagonal | Hexagonal | Cubic |
| Space group | P3221 | P3121 | P4132 |
| Unit-cell parameters | |||
| a = b (Å) | 91.28 | 66.89 | 150.30 |
| c (Å) | 172.25 | 166.63 | 150.30 |
| α = β (°) | 90.0 | 90.0 | 90.0 |
| γ (°) | 120.0 | 120.0 | 90.0 |
| No. of molecules in unit cell (Z) | 24 | 12 | 48 |
| Data-collection details | |||
| Diffraction source | ESRF | ESRF | ESRF |
| Wavelength (Å) | 0.9330 | 0.9330 | 0.9334 |
| Detector | ADSC Quantum 4 | ADSC Quantum 4 | ADSC Quantum Q210 |
| Temperature (K) | 100 | 100 | 100 |
| Resolution range (Å) | 43–1.85 (1.95–1.85) | 50–2.35 (2.48–2.35) | 61–2.00 (2.11–2.00) |
| No. of unique reflections | 71849 (10400) | 18792 (12709) | 39431 (5615) |
| No. of observed reflections | 563953 (57622) | 137516 (16045) | 577984 (39457) |
| Multiplicity | 7.8 (5.5) | 7.3 (5.9) | 14.7 (7.0) |
| Overall B factor from Wilson plot (Å2) | 26 | 49 | 27 |
| Completeness (%) | 100 (100) | 100 (100) | 99.5 (99.4) |
| Redundancy | 7.8 (5.5) | 7.3 (5.9) | 14.7 (7.0) |
| 〈I/σ(I)〉 | 7.5 (1.3) | 7.5 (1.0) | 6.4 (1.4) |
| Rmerge (%) | 7.0 (56.3) | 9.1 (74.0) | 8.9 (55.0) |
| Data-processing software | CCP4 package, MOSFLM, SCALA | ||