Table I. Crystallography statistics and refinement for AtTLP18.3.
| Characteristic | TLP | TLP_M45 | TLP-pSer Complex |
| Beamlines at the National Synchrotron Radiation Research Center | 13B1 | 13B1 | 13C1 |
| Diffraction data statistics | |||
| Space group | P212121 | P212121 | P212121 |
| Cell constants (Å and °) | a = 46.98, b = 49.84, c = 76.67; α = β = γ = 90° | ||
| Wavelength (Å) | 0.97315 | 0.9788 | 0.9762 |
| Resolution range (Å) | 30.0–1.6 | 30.0–2.6 | 30.0–2.1 |
| Observed reflections | 343,890 | 57,179 | 58,760 |
| Unique reflections | 24,243 | 5,797 | 10,968 |
| Completeness (%) | 99.3 (100.0) | 97.8 (99.6) | 99.5 (99.9) |
| I/σ(I) | 58.6 (8.7) | 30.8 (38.4) | 26.4 (3.7) |
| Rmerge (%)ab | 3.5 (31.6) | 4.6 (6.2) | 6.3 (49.6) |
| Phasing statistics | |||
| No. of selenium sites | 2 | ||
| Signal-noise ratio | 1.55 | ||
| Figure of merit | 0.42 | ||
| Refinement statistics | |||
| Resolution range (Å) | 30.0–1.6 | 30.0–2.6 | 30.0–2.1 |
| Reflections (working/test) | 21,263/2,346 | 9,945/552 | 9,319/1,068 |
| R-factor/Rfree (%) | 19.5/23.0 | 19.9/27.0 | 18.9/24.8 |
| No. of atoms | |||
| Protein atoms | 1,174 | 1,174 | 1,173 |
| Solvent atoms | 180 | 67 | 150 |
| Root mean square deviations | |||
| Bond length (Å) | 0.022 | 0.015 | 0.012 |
| Bond angle (°) | 2.2 | 1.6 | 1.5 |
| Average B-factor (Å2) | |||
| B-factor (protein) | 28.9 | 31.3 | 39.7 |
| B-factor (solvent) | 51.5 | 37.1 | 57.8 |
| B-factor (ligand) | 71.24 | ||
| Ramachandran plot (%) | |||
| Most favored | 91.7 | 91.7 | 93.2 |
| Additional allowed | 7.5 | 8.3 | 6.8 |
| Generously allowed | 0.8 | 0.0 | 0.0 |
| Disallowed | 0.0 | 0.0 | 0.0 |
a
Rmerge = 
where Ih is the mean intensity of i observations for a given reflection h.
b
The last shell values are indicated in parentheses.