Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| PCNA12 dimer | ||||
|---|---|---|---|---|
| PCNA3 monomer | Native | SeMet | PCNA123 trimer | |
| Space group | P41212 | P21212 | P21212 | P21212 |
| Unit-cell parameters (Å) | a = b = 85.8, c = 264.2 | a = 105.0, b = 112.7, c = 101.9 | a = 105.0, b = 112.7, c = 101.8 | a = 148.1, b = 222.3, c = 80.2 |
| Wavelength (Å) | 1.1000 | 0.9731 | 0.9791 (peak) | 0.9195 |
| Beamline | NSLS X12B | APS 8BM | APS 8BM | APS 8BM |
| Resolution range (Å) | 30–1.90 (1.92–1.90) | 30–2.60 (2.66–2.60) | 30–3.30 (3.42–3.30) | 30–2.50 (2.59–2.50) |
| R merge | 0.110 (0.490) | 0.076 (0.555) | 0.093 (0.545) | 0.098 (0.625) |
| Unique reflections | 75802 | 37787 | 34749 | 88416 |
| Completeness (%) | 96.3 (65.6) | 99.9 (99.8) | 99.6 (100) | 95.4 (93.6) |
| I/σ(I) | 28.9 (2.2) | 8.6 (1.8) | 6.6 (2.0) | 11.7 (2.0) |
| Redundancy | 23.3 (5.8) | 5.1 (5.1) | 3.4 (3.4) | 8.0 (8.0) |
| Mosaicity (°) | 0.32 | 0.4 | 0.66 | 0.53 |
| Molecules per ASU | 4 | 2 | 2 | 3 |
| Structure solution | Molecular replacement | NA | SAD | Molecular replacement |
| Non-H atoms | 8414 | 7952 | 18472 | |
| Water molecules | 544 | 174 | 1044 | |
| R factor | 0.205 | 0.234 | 0.211 | |
| R free [No. of reflections] | 0.251 [1530] | 0.260 [1151] | 0.250 [1796] | |
| R.m.s.d. bond length (Å) | 0.017 | 0.015 | 0.011 | |
| R.m.s.d. bond angle (°) | 1.71 | 1.57 | 1.71 | |
| Average B factor (Å2) | 42.9 | 60.8 | 44.1 | |
| Wilson B factor (Å2) | 42.7 | 74.6 | 48.6 | |