Table I.
Crystal Data Collection and Refinement Statistics
| Crystal parameters | |
| Space group | P212121 |
| Cell dimensions | a = 100.25 Å; b = 101.53 Å; c = 148.70 Å |
| Molecules per asymmetric unit | 4 |
| Data collection | |
| Beamline | DLS I24 |
| Wavelength (Å) | 0.97780 |
| Resolution range (Å) | 51.475–3.5 (3.67–3.5) |
| Unique observationsa | 17168 (1226) |
| Rmergea | 0.135 (0.388) |
| <I>/σIa | 3.5 (1.9) |
| Completeness (%)a | 86.0 (87.5) |
| Multiplicitya | 3.4 (3.3) |
| Refinement | |
| Rwork/Rfree(%) | 22.49/26.64 |
| No. protein residues in monomer | 159 |
| RMSD stereochemistry | |
| Bond lengths (Å) | 0.0147 (monomer A) |
| Bond angles (°) | 2.453 (monomer A) |
| RMSD of monomers | |
| B to A (Å) | 0.412 |
| C to A (Å) | 0.454 |
| D to A (Å) | 0.622 |
| PDB accession code | 4CL1 |
a
PDB, Protein Data Bank. Values reported in the format: overall data (last resolution shell). RMSD (root-mean-square deviation) stereochemistry is the deviation from ideal values.