Table I.
Crystallographic data and refinement statistics of AtIAMT1
Values in parentheses are for the outer resolution shell.
| Dataset | apo Form |
|---|---|
| X-ray source | NSLS |
| Space group | p21 |
| Cell parameters (Å and °) | a = 67.3, b = 129, c = 68.3, β = 112.3 |
| Wavelength (Å) | 1.009321 |
| Resolution (last shell) (Å) | 50–2.75 (2.82–2.75) |
| Total reflections (last shell) | 60,638 (4,761) |
| Unique reflections (last shell) | 20,426 (1,626) |
| Redundancy (last shell) | 2.97 (2.93) |
| Completeness (last shell) (%) | 72.4 (79.5) |
| Rsyma (last shell) (%) | 9.4 (46.9) |
| I/σ (last shell) | 12.1 (2.72) |
| Rcrystb (last shell) (%) | 25.6 (30.2) |
| Rfreec (last shell) (%) | 28.2 (35.7) |
| rmsd bonds (Å) | 0.012 |
| rmsd angles (°) | 1.45 |
| Nonhydrogen protein atoms | 5,278 |
| Nonhydrogen ligand atoms | 56 |
| Water molecules | 150 |
| Average B factor (Å2) | 50.8 |
| Ramachandran plotd | 87.4/11.4/1.2/0 |
a
Rsym = Σ|Ii − 〈I〉|/ΣIi, where Ii is the intensity of a reflection and 〈I〉 is the average intensity of that reflection.
b
Rcryst = Σ‖Fobs| − |Fcalc‖/Σ|Fobs|.
c
Five percent of the data was set aside for Rfree calculation.
d
Percentage of residues in most-favored/additionally allowed/generously allowed/disallowed regions of the Ramachandran plot.