Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Data collection | |
| Wavelength (Å) | 0.9002 |
| Temperature (K) | 105 |
| Space group | P41212 |
| Unit-cell parameters (Å, °) | a = b = 63.4, c = 171.3, α = β = γ = 90.0 |
| Resolution range (Å) | 30.00–2.75 (2.80–2.75) |
| No. of unique reflections | 8574 (399) |
| R merge (%) | 7.0 (58.0) |
| Completeness (%) | 87.9 (86.6) |
| 〈I/σ(I)〉 | 17.5 (2.2) |
| Multiplicity | 3.3 (3.6) |
| Wilson B factor (Å2) | 66.3 |
| Refinement | |
| Resolution range (Å) | 29.72–2.75 (2.82–2.75) |
| No. of reflections | 8128 (545) |
| R work/R free (%) | 23.0/29.0 (29.0/47.0) |
| No. of protein molecules/non-H atoms | 2/2466 |
| No. of ligands/non-H atoms | 2/62 |
| No. of water O atoms | 29 |
| Mean temperature factor (Å2) | 48.4 |
| Coordinate deviation | |
| R.m.s.d., bonds (Å) | 0.01 |
| R.m.s.d., angles (°) | 1.31 |
| Ramachandran plot† | |
| Most favored (%) | 88.1 |
| Allowed (%) | 11.1 |
| Generously allowed (%) | 0.7 |
| Disallowed (%) | 0.0 |
†
Statistics are based on PROCHECK (Laskowski et al., 1993 ▶).