Table 1. Crystal and molecular-replacement model statistics.
| Final PDB code | Resolution (Å) | Anomalous scatterer(s) | No. of residues | Correct MR residues† (%) | Incorrect MR residues† (%) | R.m.s.d., correct residues (Å) | |
|---|---|---|---|---|---|---|---|
| Data set 1 | ‡ | 3.6 | Se | 800 | 42.5 | 23.5 | 1.6 |
| Data set 2 | ‡ | 3.2 | Se | 378 | 60.8 | 12.9 | 1.7 |
| GPCR ECR–Mb | 5kvm | 3.0 | I | 459 | 49.7 | 11.7 | 1.5 |
| AAA-ATPase | 4d80 | 3.6 | Se | 1776 | 75.2 | 22.1 | 1.7 |
| F1-ATPase | 2w6f | 3.0 | S, P | 3587 | 46.7 | 2.3 | 0.9 |
| SecYEG–SecA | 3din | 4.5 | Se | 2886 | 47.9 | 40.7 | 1.7 |
For the initial MR models, a residue is considered to be ‘correct’ if its Cα position is at most 4 Å distant from a deposited (or best known for data sets 1 and 2) Cα* position and at least one of the Cα neighbours is at most 4 Å distant from a Cα* neighbour. All other residues, i.e. residues not satisfying these criteria, are considered to be ‘incorrect’. The percentages are relative to the total number of residues.
The refined models for data sets 1 and 2 have not yet been deposited in the PDB.