Table 1. Data collection and refinement statistics.
FAcD-SSX | FAcD-SFX | MB-SSX | MB-SFX | |
Accession code | 7A42 | 7A43 | 7A44 | 7A45 |
Resolution range | 33.08–1.75 (1.813–1.75) | 33.08–1.75 (1.813–1.75) | 31.47–1.75 (1.813–1.75) | 31.47–1.75 (1.813–1.75) |
Space group | P21 | P21 | P212121 | P212121 |
Unit cell | 41.9 79.9 84.8 90 103.4 90 | 41.9 79.9 84.8 90 103.4 90 | 37.9 47.9 83.5 90 90 90 | 37.9 47.9 83.5 90 90 90 |
Unique reflections | 54827 (5456) | 54828 (5457) | 15863 (1492) | 15891 (1520) |
Multiplicity | 139.52 (74.0) | 101.92 (66.0) | 114.79 (65.4) | 134.40 (76.2) |
Completeness (%) | 100.00 (100.00) | 100.00 (100.00) | 99.53 (95.08) | 99.72 (97.19) |
SNR | 4.18 (1.19) | 3.88 (2.06) | 5.54 (1.62) | 5.65 (1.61) |
Wilson B factor | 18.73 | 13.83 | 22.21 | 24.83 |
Rsplit (%) | 19.08 (85.41) | 21.70 (48.78) | 14.27 (77.14) | 13.78 (74.6) |
CC1/2 (%) | 95.34 (52.52) | 93.10 (72.32) | 97.33 (50.03) | 97.35 (40.54) |
Reflections used in refinement |
54827 (4396) | 54828 (4873) | 15866 (1231) | 15332 (1280) |
Reflections used for Rfree | 1852 (151) | 1838 (172) | 1522 (125) | 1529 (127) |
Rwork (%) | 15.70 (28.89) | 16.70 (23.32) | 17.30 (27.70) | 16.83 (25.51) |
Rfree (%) | 19.29 (30.64) | 19.95 (26.05) | 20.99 (32.08) | 20.85 (30.25) |
Number of non-hydrogen atoms |
5093 | 5051 | 1371 | 1384 |
Macromolecules | 4791 | 4743 | 1247 | 1248 |
Ligands | 2 | 2 | 50 | 50 |
Solvent | 300 | 306 | 74 | 86 |
Protein residues | 595 | 595 | 154 | 154 |
RMS (bonds) | 0.009 | 0.012 | 0.016 | 0.016 |
RMS (angles) | 1.08 | 1.25 | 1.32 | 1.34 |
Ramachandran favored (%) | 97.80 | 97.97 | 98.03 | 98.03 |
Ramachandran allowed (%) | 2.20 | 2.03 | 1.97 | 1.97 |
Ramachandran outliers (%) | 0.00 | 0.00 | 0.00 | 0.00 |
Rotamer outliers (%) | 0.41 | 0.63 | 1.55 | 1.54 |
Clashscore | 3.92 | 3.01 | 4.59 | 4.21 |
Average B factor | 22.87 | 16.53 | 26.50 | 28.98 |
Macromolecules | 22.28 | 15.87 | 25.97 | 28.32 |
Ligands | 35.54 | 28.12 | 24.17 | 25.87 |
Solvent | 32.22 | 26.72 | 37.11 | 40.36 |