Table 1.
hNTHL1 Data Processing and Refinement Statistics. Data collection and refinement statistics for the hNTHL1Δ63, hNTHL1Δ63 chimera, and hNTHL1Δ63 SeMet crystals. The highest resolution shell is shown in parentheses
| hNTHL1Δ63 | hNTHL1Δ63 chimera | hNTHL1Δ63 SeMet | |
|---|---|---|---|
| PDB ID | 7RDS | 7RDT | |
| Data Collection | |||
| Beamline | APS 23-ID-B | APS 23-ID-D | APS 23-ID-B |
| Space group | P 63 | P 21 21 21 | P 63 |
| Cell dimensions | |||
| a, b, c (Å) | 124.8 124.8 42.25 | 42.37 71.68 86.52 | 125.0, 125.0, 42.4 |
| α, β, γ (o) | 90 90 120 | 90 90 90 | 90 90 120 |
| Resolution range (Å) | 40.85- 2.5 | 38.05 - 2.1 | 40 - 3.2 |
| R-pim (%) | 6.8 (62) | 5.3 (21) | 10.6 (55.6) |
| CC1/2 | 99.5 (57.3) | 99.5 (84.3) | 97.6 (16.7) |
| I/sigma | 8.3(1.8) | 8.9 (3.4) | 12.1 (2.87) |
| Completeness (%) | 100 (100) | 99.7 (99.3) | 100 (100) |
| Multiplicity | 22.2 (22.3) | 4.1 (4.0) | 8.4 (8.5) |
| Wavelength (Å) | 1.033 | 1.033 | 0.9795 |
| Wilson-B factor (Å2) | 50.72 | 22.48 | |
| Refinement | |||
| Resolution range (Å) | 40.85−2.5 | 38.05−2.1 | |
| R-work/R-free (%) | 19.96/24.45 | 18.12/23.06 | |
| No. reflections | 25 423 | 28 900 | |
| No. atoms | |||
| Protein | 1756 | 1725 | |
| Ligands | 8 | 8 | |
| Water | 115 | 200 | |
| RMS deviations | |||
| Bond lengths (Å) | 0.002 | 0.002 | |
| Bond angles (o) | 0.431 | 0.471 | |
| B-factor (Å2) | 88.64 | 29.49 | |
| Protein | 89.34 | 28.83 | |
| Ligands | 73.19 | 28.03 | |
| Water | 78.77 | 35.11 | |
| Ramachandran | |||
| Preferred (%) | 96.96 | 98.10 | |
| Allowed (%) | 3.04 | 1.90 | |
| Outlier (%) | 0 | 0 | |
| Rotamer outlier | 1.06 | 0.56 | |
| Clashscore | 6.64 | 2.05 | |
| Number of TLS groups | 3 |