Table 1. X-ray data-collection and refinement statistics.
Values in parentheses are for the outermost resolution shell.
| Data collection | |
| Beamline | I911-2, MAX-lab, Sweden |
| Detector | MAR Research CCD |
| Wavelength (Å) | 1.0419 |
| Temperature (K) | 100 |
| Space group | P1 |
| Sample-to-detector distance (mm) | 200 |
| No. of images | 360 |
| Oscillation angle (°) | 1.0 |
| Unit-cell parameters (Å, °) | a = 43.45 (4), b = 76.78 (5), c = 98.87 (7), α = 100.993 (9), β = 95.36 (3), γ = 108.42 (1) |
| Resolution range (Å) | 20.00–2.50 (2.60–2.50) |
| No. of observed reflections | 152504 (15232) |
| No. of unique reflections | 39001 (3903) |
| Mosaicity (°) | 0.25–0.65 |
| Multiplicity | 3.9 (3.9) |
| Completeness (%) | 95.9 (86.4) |
| Rmerge† | 0.047 (0.285) |
| 〈I/σ(I)〉 | 19.93 (4.65) |
| Refinement | |
| Resolution range | 20.00–2.50 (2.57–2.50) |
| R factor | 0.211 (0.328) |
| Rfree | 0.2822 (0.4323) |
| No. of subunits in asymmetric unit | 2 |
| No. of protein non-H atoms | 8384 |
| No. of water molecules | 147 |
| Average B factors (Å2) | |
| Main chain | 51.9 |
| Side chain | 54.4 |
| Solvent | 45.5 |
| R.m.s.d. bond lengths (Å) | 0.009 |
| R.m.s.d. bond angles (°) | 1.182 |
| Ramachandran statistics | |
| Favoured (%) | 91.5 |
| Allowed (%) | 6.7 |
| Outliers (%) | 1.8 |
| PDB code | 3nva |
†
, where 〈I(hkl)〉 is the mean intensity of a set of equivalent reflections.