Extended Data Tab. 5.
Dataset | Chito laser off | Light | Dark1 | Dark2 | |||
---|---|---|---|---|---|---|---|
| |||||||
Chito 20ns | Chito 200us | Chito 20ns | Chito 200us | Chito 20ns | Chito 200us | ||
| |||||||
PDB ID | 8CWB | 8CWC | 8CWF | 8CWD | 8CWG | 8CWE | 8CWH |
Resolution Range | 30.74–1.51 (1.54–1.51) | 30.74–1.48 (1.51–1.48) | 30.74–1.50 (1.53–1.50) | 30.74–1.48 (1.51–1.48) | 30.74–1.50 (1.53–1.50) | 30.74–1.48 (1.51–1.48) | 30.74–1.50 (1.53–1.50) |
Reflections used in refinement | 18138 (1754) | 19245 (1873) | 18499 (1825) | 19245 (1873) | 18499 (1825) | 19245 (1873) | 18499 (1825) |
Reflections used for R-free | 930 (97) | 984 (103) | 950 (99) | 984 (103) | 950 (99) | 984 (103) | 950 (99) |
R-work | 0.1357 (0.1329) | 0.1316 (0.1246) | 0.1332 (0.1105) | 0.1306 (0.1147) | 0.1292 (0.1066) | 0.1298 (0.1137) | 0.1321 (0.1051) |
R-free | 0.1679 (0.2134) | 0.1683 (0.2273) | 0.1660 (0.2130) | 0.1633 (0.2039) | 0.1663 (0.2210) | 0.1632 (0.2090) | 0.1679 (0.1996) |
No. of non-H atoms | 1157 | 1155 | 1153 | 1162 | 1160 | 1161 | 1166 |
macromolecules | 1030 | 1030 | 1030 | 1030 | 1030 | 1030 | 1030 |
ligands | 64 | 64 | 64 | 64 | 64 | 64 | 64 |
solvent | 91 | 89 | 87 | 96 | 94 | 95 | 100 |
Protein residues | 129 | 129 | 129 | 129 | 129 | 129 | 129 |
RMS (bonds) | 0.018 | 0.016 | 0.019 | 0.018 | 0.018 | 0.019 | 0.020 |
RMS (angles) | 1.21 | 1.19 | 1.20 | 1.19 | 1.17 | 1.23 | 1.21 |
Ramachandran favored (%) | 99.21 | 99.21 | 99.21 | 99.21 | 99.21 | 99.21 | 99.21 |
Ramachandran allowed (%) | 0.79 | 0.79 | 0.79 | 0.79 | 0.79 | 0.79 | 0.79 |
Ramachandran outliers (%) | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
Rotamer outliers (%) | 0.00 | 0.00 | 0.92 | 0.92 | 0.92 | 0.00 | 0.92 |
Clashscore | 3.87 | 5.80 | 5.32 | 3.87 | 5.80 | 3.38 | 5.80 |
Average B-factor | 19.58 | 21.08 | 20.97 | 19.42 | 20.67 | 19.57 | 20.39 |
macromolecules | 18.53 | 19.98 | 19.87 | 18.19 | 19.59 | 18.30 | 19.05 |
ligands | 22.63 | 26.70 | 26.06 | 24.83 | 24.94 | 25.34 | 25.04 |
solvent | 30.23 | 31.55 | 31.91 | 30.55 | 30.90 | 31.21 | 32.55 |
Statistics for the highest-resolution shell are shown in parentheses.