TABLE 2.
Data collection | |
Space group | C2221 |
Unit cell edges (Å) | a = 138.6, b = 197.6, c = 83.0 |
X-ray source | ESRF BM-14 |
Resolution range (Å) | 30-2.5 (2.57-2.50) |
No. of unique observations | 37,806 |
Completeness (%) | 95.4 (88.6) |
Redundancy | 4.9 (3.2) |
Rmergea | 0.064 (0.414) |
<I/σI> | 15.8 (2.7) |
Refinement | |
No. of reflections work/test | 35,893/1,911 |
No. of protein atoms | 4,433 |
No. of ligand atoms | 129 |
No. of waters | 137 |
Average B-factors (Å2) | |
Protein monomers A/B/C | 42.4/43.9/50.1 |
3′SL ligands/waters | 66.7/43.5 |
Rcrystb | 0.224 |
Rfree | 0.263 |
Root mean square deviation bond distance (Å) | 0.017 |
Root mean square deviation bond angle (°) | 1.716 |
Rmerge = ∑hkl ∑i|Ihkl, i - 〈Ihkl〉|/∑hkl〈Ihkl〉.
Rcryst and Rfree = (∑||Fo| - |Fc||)/(∑|Fo|).