Table 1. Data-collection and processing statistics.
Values in parentheses are for the highest resolution shell.
| Crystallization condition | 0.1 M sodium citrate pH 5.5, 20% PEG 3000 [condition B] |
| Unit-cell parameters (Å, °) | a = 53.59, b = 151.65, c = 43.53, α = β = γ = 90.00 |
| X-ray source | BL14.1, HZB, Berlin |
| Detector | Rayonics MX225 3 × 3 CCD |
| Space group | P21212 |
| Wavelength (Å) | 0.91841 |
| Crystal-to-detector distance (mm) | 236.4 |
| Exposure time per image (s) | 15 |
| Δϕ (°) | 1.0 |
| No. of images | 180 |
| Resolution (Å) | 43.76–2.67 (2.83–2.67) |
| Reflections observed | 76144 (11938) |
| Unique reflections | 10686 (1678) |
| Multiplicity | 7.13 (7.11) |
| Completeness of data (%) | 99.8 (99.6) |
| 〈I/σ(I)〉 | 9.73 (2.16) |
| R merge † (%) | 18.2 (93.6) |
| R r.i.m. ‡ (%) | 19.6 (100.9) |
| R p.i.m. § (%) | 7.3 (37.3) |
| Mosaicity (°) | 0.35 |
| Molecules per asymmetric unit | 1 |
| Solvent content (%) | 42 |
†
The merging R factor R
merge = 
, where 〈I(hkl)〉 is the mean of the i individual measurements Ii(hkl) of the intensity of reflection hkl.
‡
The redundancy-independent merging R factor R
r.i.m. = 
, where 〈I(hkl)〉 is the mean of the N(hkl) individual measurements Ii(hkl) of the intensity of reflection hkl.
§
The precision-indicating merging R factor R
p.i.m. = 
(Weiss, 2001 ▶) calculated with the program RMERGE available upon request from M. S. Weiss.