Crystallographic data collection and refinement statistics
| . | IgFLNa21 / β2 . | 14-3-3ζ / phospho-β2 . |
|---|---|---|
| Data collection | ||
| Beamline | ESRF ID23-1 | ESRF ID14-3 |
| Wavelength, Å | 0.98 | 0.93 |
| Space group | P213 | P65 |
| Cell dimensions | ||
| a, b, c, Å | 78.72, 78.72, 78,72 | 94.92, 94.92, 233.6 |
| α, β, γ, ° | 90, 90, 90 | 90, 90, 120 |
| Resolution range, Å | 45.5-2.20 (2.26-2.20)† | 47.6-2.5 (2.59-2.50)† |
| Rsym*, % | 6.8 (43.1) | 9.0 (53.4) |
| I/σI | 25.4 (6.2) | 16.9 (4.91) |
| Completeness, % | 99.8 (100) | 99.9 (99.9) |
| Redundancy | 14 (14.2) | 9.00 (8.94) |
| Refinement | ||
| Resolution range, Å | 45.45-2.2 (2.26-2.20) | 47.6-2.50 (2.59-2.50) |
| No. of reflections | ||
| Refinement | 7633 (555) | 39003 (3889) |
| Test set | 849 (62) | 1967 (181) |
| Rcryst/Rfree, % | 24.7/27.8 (30.2/31.9) | 22.8/27.3 (39.8/40.8) |
| No. of atoms | ||
| Protein | 718 | 7446 |
| Heterogen | 6 | 44 |
| Solvent | 19 | 155 |
| Rms differences | ||
| Bond lengths, Å | 0.02 | 0.02 |
| Bond angles, ° | 1.89 | 1.17 |
| Average B-factor, Å2 | 65.1 | |
| Protein | 41 | 65.7 |
| Peptide | 54.6 | 67.8 |
| Solvent | 44.5 | 33.4 |
| B-factor from Wilson plot, Å2 | 51.4 | 47.0 |
| Amino acids in Ramachandran diagram, % | ||
| In most favored regions | 93.3 | 87.3 |
| In additional allowed regions | 5.3 | 11.9 |
| In generously allowed regions | 1.3 | 0.8 |
| . | IgFLNa21 / β2 . | 14-3-3ζ / phospho-β2 . |
|---|---|---|
| Data collection | ||
| Beamline | ESRF ID23-1 | ESRF ID14-3 |
| Wavelength, Å | 0.98 | 0.93 |
| Space group | P213 | P65 |
| Cell dimensions | ||
| a, b, c, Å | 78.72, 78.72, 78,72 | 94.92, 94.92, 233.6 |
| α, β, γ, ° | 90, 90, 90 | 90, 90, 120 |
| Resolution range, Å | 45.5-2.20 (2.26-2.20)† | 47.6-2.5 (2.59-2.50)† |
| Rsym*, % | 6.8 (43.1) | 9.0 (53.4) |
| I/σI | 25.4 (6.2) | 16.9 (4.91) |
| Completeness, % | 99.8 (100) | 99.9 (99.9) |
| Redundancy | 14 (14.2) | 9.00 (8.94) |
| Refinement | ||
| Resolution range, Å | 45.45-2.2 (2.26-2.20) | 47.6-2.50 (2.59-2.50) |
| No. of reflections | ||
| Refinement | 7633 (555) | 39003 (3889) |
| Test set | 849 (62) | 1967 (181) |
| Rcryst/Rfree, % | 24.7/27.8 (30.2/31.9) | 22.8/27.3 (39.8/40.8) |
| No. of atoms | ||
| Protein | 718 | 7446 |
| Heterogen | 6 | 44 |
| Solvent | 19 | 155 |
| Rms differences | ||
| Bond lengths, Å | 0.02 | 0.02 |
| Bond angles, ° | 1.89 | 1.17 |
| Average B-factor, Å2 | 65.1 | |
| Protein | 41 | 65.7 |
| Peptide | 54.6 | 67.8 |
| Solvent | 44.5 | 33.4 |
| B-factor from Wilson plot, Å2 | 51.4 | 47.0 |
| Amino acids in Ramachandran diagram, % | ||
| In most favored regions | 93.3 | 87.3 |
| In additional allowed regions | 5.3 | 11.9 |
| In generously allowed regions | 1.3 | 0.8 |