Table I.
Data Collection and Refinement Statistics
| DH/PH | ΔN2L-DH/PH | L-DH/PH | R399EDH/PH | |
|---|---|---|---|---|
| Data Collection | ||||
| Source | APS SBC 19ID | APS SBC 19BM | APS SBC 19ID | Rigaku FR-E |
| Wavelength (Å) | 0.9792 | 0.9792 | 0.9792 | 1.5418 |
| Space group | P41 | P32 | P32 | P32 |
| Unit cell (Å, °) | a = b = 106.0, c = 126.0 | a = b = 111.5, c = 97.8 | a = b = 111.6, c = 97.9 | a = b = 110.8, c = 98.6 |
| α = β = γ = 90 | α = β = 90, γ = 120 | α = β = 90, γ = 120 | α = β = 90, γ = 120 | |
| Dmin (Å) | 2.9 | 3.2 | 3.2 | 2.5 |
| Highest res. Shell (Å) | 2.95–2.90 | 3.26–3.20 | 3.26–3.20 | 2.54–2.50 |
| Unique reflections | 30,747 | 22,503 | 22,476 | 46,979 |
| Redundancy | 4.5 | 4.1 | 2.6 | 3.6 |
| Rsyma | 0.06 (0.75) | 0.06 (0.58) | 0.08 (0.46) | 0.09 (0.58) |
| Completeness (%)a | 99.3 (99.9) | 99.9 (100.0) | 99.5 (99.8) | 99.9 (99.4) |
| <I>/σ<I>a | 31.5 (2.3) | 24.5 (2.1) | 14.8 (2.2) | 22.7 (2.1) |
| Refinement | ||||
| Resolution (Å) | 36.0–2.9 | 48.9–3.2 | 43.7–3.2 | 48.3–2.5 |
| Total reflection used | 29,151 | 21,259 | 21,298 | 44,566 |
| N. nonhydrogen atoms | 6,068 | 5,516 | 5,416 | 5,653 |
| Protein atoms | 6,068 | 5,516 | 5,416 | 5,653 |
| Rwork (%) | 22.1 | 22.5 | 23.1 | 22.6 |
| Rfree (%)b | 27.2 | 27.4 | 28.9 | 26.6 |
| RMS deviations | ||||
| Bond lengths(Å) | 0.018 | 0.020 | 0.017 | 0.023 |
| Bond angles (°) | 1.833 | 1.736 | 1.706 | 2.012 |
| Ramachandran (%) (favored/disallowed) | 90.2/0.4 | 88.5/0.3 | 88.7/0.2 | 91.9/0.0 |
| PDB access code | 3ODO | 3ODX | 3ODW | 3P6A |
a
Numbers in parentheses correspond to the highest resolution shell.
b
Rfree is the R-factor obtained for a test set of reflections consisting of a randomly selected 5% of the data. No I/σ cutoff was used in the final calculations of R-factors.