Table 1. Results of the AutoBuild wizard applied to molecular-replacement models derived for α2u-globulin using data to 2.4 Å.
R factors were calculated using phenix.refine. The deposited α2u-globulin structure contains 688 amino-acid residues arranged in four chains of 172 residues each. Calculation of R factors for the deposited model (PDB code 2a2u), using all available data and the deposited cross-validation set, after one cycle of refinement with phenix.refine produced R and free R factors of 0.196 and 0.235, respectively.
| Starting model | Final R factors (Rfree/R) | Residues built | R.m.s.d. (Å) (No. of matching residues) |
|---|---|---|---|
| Correct, 100% complete | 0.232/0.196 | 628 | 0.3 (628) |
| Correct, 75% complete | 0.252/0.205 | 567 | 0.2 (528) |
| Correct, 50% complete | 0.472/0.410 | 265 | 0.45 (58) |
| 50% correct, 50% incorrect | 0.496/0.432 | 378 | 0.63 (32) |
| Incorrect, 100% complete | 0.524/0.456 | 20 | N/A (0) |