Table 1. Data-collection and refinement statistics.
| Crystal | Apo ORP3 ORD | ORP3 ORD—PI(4)P diC8 complex |
|---|---|---|
| Data collection | ||
| Beamline | PLS-5C | PLS-7A |
| Wavelength (Å) | 0.97934 | 0.97950 |
| Space group | P3121 | P3121 |
| Unit-cell parameters (Å, °) | a = 95.9 Å, b = 95.9 Å, c = 188.9 Å | a = 95.8 Å, b = 95.8 Å, c = 190.5 Å |
| Rotation range (Å) | 50–2.7 (2.75–2.70) | 50–2.6 (2.64–2.40) |
| No. of reflections | 127073 | 196407 |
| No. of unique reflections | 28026 (1409) | 31618 (1364) |
| Multiplicity | 4.5 (4.8) | 6.2 (6.2) |
| Mean I/σ(I) | 35.1 (6.1) | 39.0 (4.4) |
| Completeness (%) | 98.8 (100) | 99.0 (88.3) |
| Rmerge (%) | 7.6 (36.8) | 12.7 (53.0) |
| Refinement | ||
| Resolution range (Å) | 50–2.7 (2.80–2.70) | 50–2.6 (2.67–2.60) |
| Rwork (%) | 23.3 (30.4) | 20.0 (31.9) |
| Rfree (%) | 28.5 (41.4) | 26.9 (43.9) |
| R.m.s.d., bond lengths (Å) | 0.012 | 0.011 |
| R.m.s.d., bond angles (°) | 1.330 | 1.612 |
| B factor (Å2) | ||
| Overall | 71.0 | 61.1 |
| Molecule A | 88.8 | 66.9 |
| Molecule B | 53.5 | 55.6 |
| Ligands | - | 62.2 |
| Water | 54.0 | 52.0 |
| No. of non-H atoms | ||
| Protein | 6155 | 6172 |
| Ligand | 0 | 86 |
| Solvent | 58 | 55 |
| Ramachandran statistics | ||
| Favored (%) | 92.8 | 93.5 |
| Outliers (%) | 0.13 | 0.67 |
| PDB entry | 7DEJ | 7DEI |