Table 6. Crystallographic Data Collection and Refinement Statistics for the LSD1-CoREST1 Complex with 31a.
| data collection | |
|---|---|
| beamline | DIAMOND I03 |
| wavelength (Å) | 0.976 |
| space group | I222 |
| unit cell, a, b, c (Å) | 120.55, 179.5, 234.43 |
| resolution range (Å) | 117.21–3.1 (3.21–3.1) |
| unique reflections | 46 257 (4502) |
| multiplicity | 4.2 (4.4) |
| completeness (%) | 99.7 (99.9) |
| I/σ(I) | 8.9 (1.4) |
| Rp.i.m. | 0.054 (0.61) |
| CC1/2 | 0.997 (0.553) |
| refinement | |
|---|---|
| no. of reflections: working set | 43 946 |
| test set | 2300 (5%) |
| resolution (Å) | 117.21–3.1 |
| Rcryst (%) | 0.183 |
| Rfree (%) | 0.214 |
| no. of protein atoms | 6376 |
| mean B-factor (Å2) | 103.7 |
| rmsd bond distance (Å) | 0.008 |
| rmsd bond angle (deg) | 1.66 |
| Ramachandran plot, residues in the most favored regions (%) | 91.4 |
| in additionally allowed regions (%) | 8.0 |
| in disallowed regions (%) | 0.6 |
a
Values for the highest resolution shell are given in parentheses.