Table 1. Data-collection statistics for VAP1 crystals.
Values in parentheses are for the highest resolution shell. For each data set, a single crystal was used for measurement.
| Form 1-1 | Form 1-2 | |
|---|---|---|
| Space group | P41212 | P212121 |
| Unit-cell parameters | ||
| a (Å) | 93.9 | 86.7 |
| b (Å) | 93.9 | 93.3 |
| c (Å) | 244.8 | 137.7 |
| α = β = γ (°) | 90 | 90 |
| Beamline (detector) | BL45PX (Rigaku Jupiter) | BL45PX (Rigaku R-AXIS V) |
| Wavelength (Å) | 0.98 | 1.0 |
| Resolution (Å) | 50–2.50 (2.59–2.50) | 50–2.50 (2.59–2.50) |
| No. of unique reflections | 38868 (3773) | 38926 (3800) |
| Rmerge† | 0.084 (0.380) | 0.072 (0.369) |
| I/σ(I) | 18.7 (7.1) | 14.4 (2.9) |
| Completeness (%) | 99.7 (99.6) | 99.4 (98.8) |
| Redundancy | 12.7 | 3.91 |
| No. of molecules in ASU | 1 | 1 |
| Matthews value (Å3 Da−1) | 2.5 | 2.5 |
| Solvent content (%) | 51 | 51 |
†
R
merge = 
, where I
i(hkl) is the ith intensity measurement of reflection hkl and 〈I(hkl)〉 is its average.