Table 1.
Diffraction data and refinement statistics
| Crystal | AMPPCP-Mga | ADP-Mg | His462Glna |
|---|---|---|---|
| Resolution range (Å) | 100.0–1.85 (1.90–1.85) | 100.0–1.85 (1.90–1.85) | 100.0–1.95 (2.01–1.95) |
| Space group | P4322 | P4322 | P4322 |
| Cell a=b (Å) | 90.787 | 89.956 | 90.518 |
| c (Å) | 191.788 | 190.375 | 191.218 |
| Rmerge (%) | 8.1 (29.1) | 12.9 (48.3) | 5.8 (23.2) |
| I/σ (I) | 33.7 (2.8) | 30.6 (5.8) | 32.3 (3.1) |
| Completeness (%) | 99.6 (99.1) | 99.9 (100) | 99.9 (99.8) |
| Redundancy | 6.2 (6.2) | 3.6 (3.4) | 6.5 (5.9) |
| AMPPCP-Mg | ADP-Mg | His462Gln | |
| Resolution range (Å) | 20.0–1.85 | 20.0–1.85 | 20.0–1.95 |
| No. of reflections | 65461 | 63866 | 55707 |
| Rwork/Rfree (%) | 19.5/22.5 | 19.2/22.6 | 20.8/24.5 |
| Number of atoms | 4573 | 4644 | 4411 |
| Overall B-factor (Å2) | 44.9 | 41.0 | 49.7 |
| r.m.s.d. bond (Å) | 0.011 | 0.011 | 0.012 |
| r.m.s.d. angles (deg) | 1.3 | 1.3 | 1.3 |
| Ramachandranb (%) | 93.3/6.5/0.2/0 | 94.6/5.4/0/0 | 93.9/5.4/0.6/0 |
Parentheses denote statistics in the highest-resolution shells. All data were collected at the wavelength of 0.9 Å.
aData from two crystals were merged in AMPPCP-Mg and His462Gln data sets.
bFractions of residues in the most favoured/additionally allowed/generously allowed/disallowed regions of Ramachandran plot according to ProCheck (Collaborative Computational project (1994)). No residue was found in the disallowed region.