Table 1.
Data and refinement statistics
| Data collection | ||||
| Crystal | E2(CPA) | E2(CPA+CC) | E2(CPA+TG) | E2(TG)P21 |
| No. of crystals | 2 | 2 | 2 | 2 |
| Resolution range, Å | 20.0–3.4 (3.52–3.40) | 20.0–2.8 (2.88–2.80) | 20.0–2.9 (2.97–2.90) | 20.0–3.1 (3.18–3.10) |
| Space group | P21 | P41212 | P21 | P21 |
| Cell dimensions | ||||
| a, Å | 63.04 | 71.65 | 62.90 | 62.85 |
| b, Å | 96.03 | 71.65 | 95.65 | 95.95 |
| c, Å | 155.42 | 586.25 | 155.10 | 154.50 |
| β, ° | 95.09 | 90.00 | 95.24 | 94.9 |
| Rmerge, % | 5.3 (30.1) | 14.1 (53.4) | 4.8 (36.1) | 13.4 (42.9) |
| I/σ(I) | 34.2 (3.4) | 32.0 (7.2) | 33.6 (2.0) | 27.6 (2.7) |
| Completeness, % | 99.9 (99.8) | 99.9(99.9) | 99.2(92.5) | 99.9 (99.4) |
| Redundancy | 7.3 (6.7) | 17.1 (14.5) | 7.0 (3.9) | 6.4 (5.6) |
| Refinement statistics | ||||
| Resolution range, Å | 15.0–3.4 | 15.0–2.8 | 15.0–2.9 | 15.0–3.1 |
| No. of reflections | 25,100 | 38,263 | 38,171 | 29,357 |
| Rwork/Rfree, % | 26.7/32.4 | 24.7/27.2 | 24.4/29.2 | 23.5/28.4 |
| No. of atoms | 7,695 | 7,753 | 7,741 | 7,717 |
| Overall B-factor, Å2 | 104.7 | 62.8 | 77.4 | 92.8 |
| rmsd bond, Å | 0.010 | 0.009 | 0.011 | 0.009 |
| rmsd angles, ° | 1.4 | 1.4 | 1.4 | 1.4 |
| Ramachandran,* % | 72.4/27.6/0 | 82.6/17.4/0 | 85.5/14.5/0 | 76.4/23.6 /0 |
Parentheses denote statistics in the highest-resolution shells.
*Fractions of residues in the most favored/additionally allowed/generously allowed regions of the Ramachandran plot according to ProCheck (32). No residue was found in the generously allowed and disallowed regions.