Table 1.
Data Processing and Refinement Statistics for BtGH97a
| Data Collectiona | BtGH97a (SeMet) | BtGH97a (Native) | BtGH97a in Complex with 1 | BtGH97a in Complex with 2 |
|---|---|---|---|---|
| Resolution (Å) | 15−2.50 (2.59−2.50) | 15−1.90 (1.97−1.90) | 15−1.66 (1.72−1.66) | 20−2.00 (2.07−2.00) |
| Space group | P21 | P21 | P21 | P21 |
| Unit cell parameters | ||||
| a, b, c; β | 75.6, 111.9, 102.5; 100.8° | 75.6, 111.6, 102.4; 100.9° | 75.7, 112.2, 102.5; 100.9° | 74.6, 112.0, 104.1; 100.9° |
| Rmerge | 0.084 (0.16) | 0.084 (0.28) | 0.075 (0.35) | 0.076 (0.35) |
| Mean I/σI | 15.9 (8.6) | 8.9 (2.3) | 20.0 (3.4) | 13.3 (2.2) |
| Completeness (%) | 100 (99) | 91 (57) | 99 (93) | 95 (69) |
| Multiplicity | 5.3 (5.0) | 2.3 (1.7) | 5.4 (3.3) | 3.5 (2.5) |
| No. unique reflections | 57,815 | 120,776 | 195,947 | 108,971 |
| Rcryst | — | 0.15 | 0.15 | 0.17 |
| Rfree | — | 0.20 | 0.19 | 0.23 |
| Rmsd bonds (Å) | — | 0.014 | 0.014 | 0.015 |
| Rmsd angles (°) | — | 1.41 | 1.41 | 1.50 |
| Rmsd chiral volume (Å3) | — | 0.103 | 0.109 | 0.105 |
| PDB ID code | — | 2JKA | 2JKE | 2JKP |
Values in parentheses represent outer shell. Rmsd, root-mean-square deviation.
a
Beamline (ESRF) ID23-1.