TABLE 1.
MAP-1 data collection and refinement statistics
Values in parentheses are for highest resolution shell. r.m.s.d., root mean square deviation.
| Data acquisition | |
| Beamline, λ(Å) | ESRF ID14-4, 0.97930 |
| Space group (Z) | P4322 (8) |
| Molecules/asymmetric unit (asu) | 1 |
| Cell dimensions a, b, c (Å) | 94.1, 94.1, 242.7 |
| Observations | 18,636 (1,999) |
| Unique observations | 7,844 (512) |
| Resolution (Å) | 94-4.2 (5.2-4.2) |
| Rsym or Rmerge | 0.28 (0.55) |
| I/σI | 8.7 (2.8) |
| Completeness (%) | 93.5 (95.2) |
| Redundancy | 3.6 (3.9) |
| Refinement | |
| Rwork/Rfree | 0.28/0.30 |
| No. atoms | 2,914 |
| Protein | 2,792 |
| Ligand/ion/waters | 6 Ca+2 ions |
| r.m.s.d. bond lengths (Å) | 0.006 |
| r.m.s.d. bond angles (°) | 1.02 |