Table 1.
Summary of Crystallographic Statistics
| Data Collection | |
| Radiation Å | 1.11587 |
| Space Group | P212121 |
| Unit Cell Dimensions Å | a = 44.43 |
| b = 52.09 | |
| c = 86.68 | |
| Resolution Å | 52 – 2.1 |
| Completeness % (last shell) | 98.7 (98.7) |
| Rsym % (last shell) | 6 (36.2) |
| Multiplicity (last shell) | 3.9 (3.9) |
| Overall I/s (last shell) | 9.1 (2.0) |
| Wilson B factor | 35.08 |
| Molecular Replacement | |
| Search Model | PDB ID 1ROC |
| R factor* | 32.2 |
| Correlation coefficient* | 0.876 |
| Structural Refinement | |
| Resolution Å (last bin) | 30 – 2.2 (2.257–2.20) |
| Number of nonhydrogen atoms | 1429 |
| Munber of protein atoms | 1338 |
| Number of water atoms | 91 |
| Overall reflections (last shell) | 9995 (720) |
| Test reflections (last shell) | 500 (42) |
| Rwork/Rfree % | 19.6/23.9 |
| Rmsdbonds/angles | 0.017/1.614 |
| Ramachandran % (No. of residues) | |
| Most favored | 99.39 (162) |
| Allowed | 0.61 (1) |
| Average B factors | |
| Protein | 55.87 |
| Water | 62.41 |
*After one round of refinement in Refmac.