Table 1. Data Collection and Refinement Statistics.
| Data Collection | |
| Space Group | P212121 |
| Unit Cell Parameters (Å, °) | 42.42 63.79 111.08, 90 90 90 |
| Matthews coefficient (Å3/Da) | 2.33 |
| Solvent content (%) | 46.9 |
| Resolutiona | 19.86–2.04 (2.14–2.04) |
| Total reflectionsa | 134735 (16297) |
| Unique reflectionsa | 19829 (2606) |
| Rsym (%)a b | 6.5 (18.6) |
| Completenessa(%) | 99.7 (99.5) |
| I/σIa | 21.6 (9.5) |
| Refinement Statistics | |
| # protein atoms (non-H) | 2050 |
| # waters | 237 |
| Rwork (%)a | 18.1 (17.7) |
| Rfree (%)a | 22.2 (22.9) |
| Ramachandran plotc (%) | 97.7/2.3/0 |
| RMSD (Bonds/Angles) (Å, °) | 0.008/1.014 |
| Average Isotropic B-factors (Å2) | |
| Main chain (A/B)d | 14.91/15.08 |
| Side Chain (A/B)d | 18.36/17.64 |
| Waters | 22.43 |
a
Values in parentheses indicate statistics for the highest resolution shell of data;
b
Rsym = Σhj|Îh−Ihj|/ΣhjIhj;
c
Favored/allowed/outliers;
d
Residual B factors (does not include the contribution to atomic displacements from translation, libration and screw-rotation displacement).