Table 1. MICALMO-CH data collection and refinement statistics.
| Crystal | Native 1 | Native 2 |
|---|---|---|
| Wavelength (Å) | 1.5416 | |
| Resolution range (Å) | 32.14–2.309 (2.392–2.309) | 26.81–2.878 (2.981–2.878) |
| Space group | P 1 21 1 | P 1 21 1 |
| Unit cell | 71.9 49.9 95.85 90 97.0 90 | 70.2 50.2 97.0 90 101.2 90 |
| Measured reflections | 93863(28540) | 52018(14602) |
| Unique reflections | 28284 (2316) | 14591 (1005) |
| Multiplicity | 3.3(2.0) | 3.6(2.7) |
| Completeness (%) | 94.25 (78.27) | 95.03 (65.51) |
| Mean I/sigma | 17.0 (1.2) | 6.6 (1.1) |
| Wilson B-factor | 38.33 | 36.27 |
| R-sym | 0.08 (0.49) | 0.18 (0.64) |
| R-work | 0.22 (0.27) | 0.20 (0.35) |
| R-free | 0.28 (0.37) | 0.27 (0.44) |
| No of non-hydrogen atoms | 4776 | 4608 |
| macromolecules | 4518 | 4510 |
| ligands | 61 | 60 |
| water | 197 | 38 |
| Protein residues | 583 | 581 |
| RMS(bonds) | 0.010 | 0.012 |
| RMS(angles) | 1.26 | 1.35 |
| Ramachandran favored (%) | 96 | 92 |
| Ramachandran outliers (%) | 0.69 | 0.52 |
| Average B-factor | 52.70 | 41.60 |
| macromolecules | 53.40 | 41.90 |
| ligands | 38.40 | 29.00 |
| solvent | 41.00 | 19.40 |
| PDBIds | 4TXI | 4TTT |
#The change in the β angle is the largest difference between the two crystal forms.