Table 1. Data-collection and refinement statistics.
Values in parentheses are for the outer shell.
| C. neoformans IMPDH | C. gattii IMPDH | |
|---|---|---|
| No. of crystals | 1 | 1 |
| Beamline | Australian Synchrotron MX2 | Australian Synchrotron MX2 |
| X-ray wavelength (Å) | 0.95 | 0.95 |
| Detector | ADSC Quantum 315r | ADSC Quantum 315r |
| Crystal-to-detector distance (mm) | 350 | 320 |
| Rotation range per image (°) | 1 | 1 |
| Total rotation range (°) | 180 | 180 |
| Exposure time per image (s) | 2 | 2 |
| Data-collection temperature (K) | 100 | 100 |
| Space group | I422 | I422 |
| Unit-cell parameters (Å, °) | a = b = 148.8, c = 106.4, α = β = γ = 90 | a = b = 148.8, c = 106.2, α = β = γ = 90 |
| Resolution range (Å) | 20–2.5 (2.5–2.42) | 20–2.6 (2.74–2.6) |
| Unique reflections | 20908 | 18484 |
| Total observations | 305209 | 491039 |
| 〈I/σ(I)〉 | 23.6 (4.9) | 22.5 (6.1) |
| Rmerge† (%) | 11.7 (78.1) | 13.5 (79.6) |
| Rmeas = Rr.i.m.‡ (%) | 12.1 (80.9) | 13.8 (81.3) |
| Wilson B factor (Å2) | 46.6 | 52.7 |
| Completeness (%) | 99.8 (100) | 99.8 (100) |
| Mosaicity (°) | 0.40 | 0.41 |
| Multiplicity | 14.6 | 26.6 |
| Monomer molecular weight (kDa) | 57.9 | 57.9 |
†
R
merge = 
, where I
i(hkl) is the intensity of an individual measurement of the reflection with Miller indices hkl and 〈I(hkl)〉 is the mean intensity of that reflection. Calculated for I > −3σ(I).
‡
R
meas = R
r.i.m. = 
, where I
i(hkl) is the intensity of the ith individual measurement of reflection hkl and 〈I(hkl)〉 is the weighted average intensity of all measurements i of reflection hkl. N is the multiplicity.