Table 1.
Structural parameters for MhLap and AhLap tetra-tandemers.
| Protein sample | MhLap | AhLap | AhLap |
|---|---|---|---|
| Calcium derivative | Native | Calcium derivative | |
| Data collection statistics | |||
| Diffraction Sources | Synchrotron CLS08ID-1 | Synchrotron CLS08ID-1 | Home |
| Wavelength (Å) | 1.77123 | 0.97949 | 2.29097 |
| No. of molecules in asymmetric unit | one | two | two |
| Space group | C121 | P1 | P1 |
| a, b, c (Å) | 202.8, 45.6, 58.6 | 47.7, 50.4, 124.4 | 48.0, 50.4, 123.2 |
| α, β, γ (°) | 90.0, 100.0, 90.0 | 97.6, 98.2, 101.8 | 96.9, 98.2, 102.1 |
| Resolution range (Å)* | 46.6 – 2.0 (2.05 – 2.0) | 48.64 – 1.75 (1.78–1.75) | 48.65 – 2.5 (2.61 – 2.51) |
| Rmerge* | 0.10 (0.47) | 0.08 (0.83) | 0.07 (0.17) |
| Rmeas * | 0.11 (0.49) | 0.09 (0.96) | 0.08 (0.20) |
| CC 1/2* | 0.999 (0.990) | 0.998 (0.859) | 0.997 (0.985) |
| < I/σ > (I) >* | 19.6 (4.2) | 10 (1.9) | 16.9 (6.7) |
| Completeness (%)* | 99.0 (87.6) | 97.3 (95.3) | 91.9 (87.9) |
| Redundancy* | 14.1 (11.4) | 3.9 (4.0) | 3.9 (3.9) |
| Refinement statistics | |||
| Resolution range (Å) | 46.6 – 2.0 | 48.64 – 1.75 | |
| No. of reflections | 34,009 | 103,273 | |
| Rwork/Rfree | 018/0.23 | 0.18/0.21 | |
| No. of atoms | |||
| Protein | 2638 | 6050 | |
| CA ion | 4 | 26 | |
| Water | 498 | 974 | |
| Overall B-factors from Wilson plot (Å2) | 28.2 | 17.9 | |
| Average B-factor (Å2) | |||
| Protein | 29.6 | 13.7 | |
| Water | 43.6 | 35.3 | |
| CA ion | 27.9 | 24.4 | |
| R.m.s. deviations | |||
| Bond length (Å) | 0.011 | 0.011 | |
| Bond angle (°) | 1.726 | 1.574 | |
| Ramachandran plot statistics (%) | |||
| Most favoured region | 96.6 | 97.28 | |
| Additionally allowed regions | 3.11 | 2.72 | |
| PDB ID | 6XI3 | 6XI1 | |
* The numbers in parentheses are for the highest resolution shell.