Table S1.
Data collection and refinement statistics
| Data name | LmFH-2–SAD* | LmFH-2–native |
| Ligands | S-malate and malonate | |
| Data collection | ||
| Wavelength (Å) | 1.7399 | 0.9795 |
| Space group | P212121 | P212121 |
| Cell dimensions | ||
| a, b, c (Å) | 65.75, 85.66, 241.62 | 65.67, 85.13, 241.48 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 50–2.7 (2.75–2.70)† | 200–2.05 (2.09–2.05)† |
| No. of unique reflections | 36,042 | 83,691 |
| Rsym | 0.091 (0.367)† | 0.114 (0.41)† |
| I/σ(I) | 21 (3.7)† | 16.5 (2.8)† |
| Completeness (%) | 94.9 (70.2)† | 98.1 (97.9)† |
| Redundancy | 6.6 (5.1)† | 5.5 (5.4)† |
| Refinement | ||
| Resolution (Å) | 200–2.05 | |
| No. reflections | 83,691 | |
| Rwork/Rfree‡ | 0.144/0.177 | |
| No. atoms | 9,103 | |
| Protein | 8,196 | |
| Ligand | 135 | |
| Water | 772 | |
| B-factors (Å2) | 29.8 | |
| Protein | 28.9 | |
| Ligand | 36.8 | |
| Water | 38.2 | |
| Rmsd | ||
| Bond lengths (Å) | 0.010 | |
| Bond angles (°) | 1.066 |
LmFH-2–SAD and LmFH-2–native datasets were collected using two and one crystals, respectively.
*
Statistics are for data that were scaled anomalously.
†
Highest resolution shell is shown in parenthesis.
‡
Rfree was calculated with 5% of the data.