Table 1.
Data collection, phasing and refinement statistics
| DmcElp3 390–406GSGSG/E386A DCA PDB ID 6IA6 |
MinElp3 Δ1–19 PDB ID 6IA8 |
MinElp3 Δ1–46 PDB ID 6IAZ |
MinElp3 Δ1–54 PDB ID 6IAD |
|
|---|---|---|---|---|
| Data collection | ||||
| Space group | C2221 | P41212 | P41212 | P41212 |
| Cell dimensions | ||||
| a, b, c (Å) | 73.56, 160.74, 93.00 | 63.44, 63.44, 250.22 | 63.35, 63.35, 250.06 | 62.97, 62.97, 248.25 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Wavelength | 0.9184 | 1.0332 | 0.9184 | 0.9184 |
| Resolution (Å)† | 50–2.7(2.77–2.7) | 50.0–1.9 (1.95–1.9) | 50–1.9 (1.95–1.9) | 50–2.05 (2.10–2.05) |
| Rmeas (%) | 14.1 (209.9) | 6.8 (158.2) | 6.8 (99.7) | 10.5 (162.9) |
| I/σ(I) | 9.75 (0.81) | 33.38 (1.73) | 19.34 (1.82) | 16.08 (1.76) |
| CC 1/2 | 0.99 (0.29) | 1.00 (0.59) | 0.99 (0.62) | 0.99 (0.62) |
| Completeness (%) | 99.0 (98.1) | 98.3 (83.4) | 99.8 (98.0) | 99.8 (98.1) |
| Redundancy | 4.4 (4.0) | 24.1 (16.42) | 10.4 (8.3) | 12.7 (12.8) |
| Refinement | ||||
| Resolution (Å) | 43.3–2.7 | 44.9–1.9 | 34.8–1.9 | 29.4–2.05 |
| No. of reflections | 15,372 | 41,022 | 41,281 | 32,466 |
| Rwork/Rfree | 22.3/26.9 | 18.4/20.7 | 19.5/21.7 | 19.7/22.3 |
| No. of atoms | ||||
| Protein | 3017 | 3487 | 3476 | 3494 |
| Ligand/ion | 56 | 35 | 30 | 20 |
| Water | 0 | 124 | 163 | 109 |
| B factors | ||||
| Protein | 83.7 | 50.4 | 47.1 | 51.1 |
| Ligand/ion | 125.4 | 87.6 | 88.5 | 93.1 |
| Water | 0 | 48.3 | 47.4 | 49.6 |
| r.m.s deviations | ||||
| Bond lengths (Å) | 0.002 | 0.009 | 0.005 | 0.002 |
| Bond angles (°) | 0.552 | 0.847 | 0.730 | 0.635 |
Values in parentheses are for highest-resolution shell
†Resolution limits according to I/σ of 2 are 2.95 Å for DmcElp3390–406(GSGSG)/E386ADCA, 1.9 Å for MinElp3Δ1–19, 1.9 Å for MinElp3Δ1–46, 2.1 Å for MinElp3Δ1–54