Table 2. Data-collection statistics.
Values in parentheses are for the last shell.
| Data set | pH 4.5 | pH 5.5 | pH 7.0 | 0.98 Å | 1.38 Å |
|---|---|---|---|---|---|
| Space group | P212121 | P212121 | P212121 | P212121 | P212121 |
| Unit-cell parameters (Å) | |||||
| a | 56.06 | 56.38 | 56.47 | 56.03 | 55.01 |
| b | 85.45 | 86.13 | 86.21 | 85.55 | 85.23 |
| c | 151.75 | 152.64 | 152.24 | 151.56 | 151.51 |
| Mosaicity (°) | 0.72 | 0.47 | 0.71 | 0.79 | 0.43 |
| Residues per monomer | 496 | 496 | 496 | 496 | 496 |
| Monomers per asymmetric unit | 1 | 1 | 1 | 1 | 1 |
| Matthews coefficient (Å3 Da−1) | 3.26 | 3.44 | 3.32 | 3.23 | 3.21 |
| Solvent content (%) | 62.26 | 64.20 | 62.98 | 61.90 | 61.76 |
| X-ray source | Rigaku RU-200H | NSLS X6A | NSLS X6A | ||
| Detector | R-AXIS IV image plate | Quantum 270 CCD | Quantum 270 CCD | ||
| Wavelength (Å) | 1.5418 | 0.9795 | 1.3778 | ||
| Resolution range (Å) | 34.7–2.30 (2.40–2.30) | 24.45–1.65 (1.74–1.65) | 34.7–2.30 (2.40–2.30) | 34.7–1.90 (2.00–1.90) | 34.7–1.80 (1.90–1.80) |
| Unique reflections | 32606 | 87114 | 32281 | 52446 | 64137 |
| Multiplicity | 3.6 (3.6) | 3.2 (2.5) | 3.3 (2.7) | 4.4 (4.4) | 2.5 (2.5) |
| Completeness (%) | 98.8 (98.8) | 93.7 (79.5) | 95.8 (85.9) | 91.2 (95.5) | 95.2 (95.0) |
| 〈I/σ(I)〉 | 5.4 (1.9) | 9.8 (2.3) | 5.8 (2.6) | 4.5 (2.9) | 11.2 (4.2) |
| Rmerge (%) | 11.0 (41.0) | 5.1 (27.0) | 9.8 (29.3) | 11.5 (23.4) | 4.4 (17.6) |
| Wilson plot B value (Å2) | 36.40 | 17.68 | 35.80 | 13.14 | 16.88 |