Table 2. Data-collection statistics for VAP2 crystals.
Values in parentheses are for the highest resolution shell. For each data set, a single crystal was used for measurement.
| Form 2-1 | Form 2-2 | Form 2-3 | Form 2-4 | Form 2-5 | |
|---|---|---|---|---|---|
| GM6001 | + | + | + | + | − |
| Space group | P21 | P212121 | P41 | P6322 | C2 |
| Unit-cell parameters | |||||
| a (Å) | 56.9 | 57.7 | 60.7 | 156.8 | 220.7 |
| b (Å) | 138.0 | 118.2 | 60.7 | 156.8 | 79.5 |
| c (Å) | 59.2 | 138.5 | 257.9 | 95.6 | 58.7 |
| α (°) | 90 | 90 | 90 | 90 | 90 |
| β (°) | 91.5 | 90 | 90 | 90 | 91.7 |
| γ (°) | 90 | 90 | 90 | 120 | 90 |
| Beamline (detector) | BL41XU (ADSC Quantum 310R CCD detector) | ||||
| Wavelength (Å) | 1.0 | 1.0 | 1.0 | 1.0 | 1.0 |
| Resolution (Å) | 50–2.15 (2.23–2.15) | 50–2.50 (2.59–2.50) | 50–3.20 (3.31–3.2) | 50–3.80 (3.94–3.80) | 50–2.70 (2.80–2.70) |
| No. of unique reflections | 48664 (4428) | 33288 (2925) | 15097 (1437) | 7169 (682) | 26911 (2313) |
| Rmerge† | 0.081 (0.196) | 0.089 (0.321) | 0.091 (0.360) | 0.117 (0.397) | 0.085 (0.231) |
| I/σ(I) | 9.8 (4.6) | 10.3 (3.7) | 10.9 (4.0) | 8.4 (6.5) | 10.1 (5.5) |
| Completeness (%) | 98.1 (89.5) | 98.6 (88.4) | 99.5 (95.7) | 99.8 (99.9) | 95.9 (82.5) |
| Redundancy | 3.3 | 6.5 | 7.0 | 19.2 | 3.4 |
| No. of molecules in ASU | 2 | 2 | 2 | 1 | 2 |
| Matthews value (Å3 Da−1) | 2.4 | 2.4 | 2.5 | 3.1 | 2.7 |
| Solvent content (%) | 49 | 49 | 50 | 60 | 54 |
†
R
merge = 
, where I
i(hkl) is the ith intensity measurement of reflection hkl and 〈I(hkl)〉 is its average.