Table I. Refinement statistics.
| CBCΔNLS | CBCΔCC + cap form 1 | CBCΔCC + cap form 2 | |
|---|---|---|---|
| Space group | C2 | P3121 | P212121 |
| Cell dimensions (Å) | a = 264.14, b = 59.60, c = 75.43, β = 99.52 | a = b = 112.78, c = 158.31, γ = 120 | a = 111.84, b = 125.72, c = 188.76 |
| Resolution range (Å) | 25–2.0 | 20–2.15 | 20–2.4 |
| Completeness (%) | 79.5 | 99.8 | 89.1 |
| Rmerge (%) | 5.3 | 7.9 | 11.4 |
| No. of working (test) reflections | 59 304 (3112) | 60 513 (3204) | 91 470 (4794) |
| R-factor (%) | 21.2 | 23.0 | 19.4 |
| Rfree (%) | 24.7 | 26.6 | 24.5 |
| R.m.s.d. from ideal bond length (Å) | 0.0057 | 0.006 | 0.006 |
| R.m.s.d. from ideal bond angles (°) | 1.1 | 1.1 | 1.1 |
| Ramachandran plot (%) | |||
| Favoured | 93.3 | 91.1 | 91.8 |
| Additional | 6.6 | 8.8 | 8.0 |
| Generous | 0.1 | 0.1 | 0.1 |
| Disallowed | 0.0 | 0 | 0.1 |
| No. of water molecules | 294 | 365 | 1426 |
| No. of non-hydrogen atoms (chain) | CZ | CZT | AXT BYU |
| CBP80 | 5905 | 5746 | 5765 5762 |
| CBP20 | 762 | 1193 | 1214 1202 |
| Cap analogue | – | 52 | 52 52 |
| Average B-factor (Å2) | |||
| CBP80 | 51.45 | 45.14 | 37.32 36.3 |
| CBP20 | 51.21 | 48.17 | 41.03 35.82 |
| Cap analogue | – | 61.06 | 40.35 46.50 |
| Anisotropic B-factor correction (Å2) | B11 = –14.53, B22 = 0.55, B33 = 13.98, B13 = –6.17, B12 = B23 = 0 | B11 = 3.79, B22 = 3.79, B33 = –7.58, B12 = 0.27, B13 = B23 = 0 | B11 = 5.44, B22 = –14.56, B33 = 9.12, B12 = B13 = B23 = 0 |
R = Σ(|Fobs| – k|Fcal|)/Σ|Fobs|
Rfree is calculated using 5% of the reflections.