Table 1.
Statistics of the data collection and structure refinement.
| Open state 5O1L | Closed state 5O1M | |
|---|---|---|
| PDB ID | ||
| resolution [Å] | 60.37–1.48 | 39.22–2.20 |
| (1.51–1.48) | (2.27–2.20) | |
| unit cell constants a, b, c [Å] | 56.7, 62.8, 64.4 | 54.9, 56.6, 63.9 |
| α, β, γ [°] | 85.4, 66.1, 74.2 | 74.2, 86.1, 71.0 |
| space group | P 1 | P 1 |
| unique reflections | 117,382 (5,807) | 30,914 (2,566) |
| multiplicity | 3.6 (3.7) | 3.7 (3.7) |
| completeness [%] | 90.0 (89.2) | 87.2 (83.7) |
| mean ((I)/σ (I)) | 8.1 (2.1) | 12.3 (3.8) |
| CC (1/2) | 0.994 (0.730) | 0.997 (0.932) |
| R merge | 0.086 (0.596) | 0.065 (0.299) |
| R pim | 0.053 (0.358) | 0.039 (0.180) |
| Refinement | ||
| R cryst | 0.1649 | 0.1746 |
| R free | 0.1867 | 0.2253 |
| r.m.s.d. bond lengths [Å] | 0.0202 | 0.0184 |
| r.m.s.d. bond angles [°] | 2.0085 | 1.9487 |
| non-hydrogen atoms | 6,374 | 5,845 |
| Ramachandran statistics | ||
| most favoured regions [n, %] | 732, 98.4 | 720, 97.6 |
| allowed regions [n, %] | 11, 1.5 | 18, 2.4 |
| outliers [n, %] | 1, 0.1 | 0 |