Table 3.
Data collection and refinement statistics
| Structure | AtPRF2 | AtPRF2–Poly-P | AtPRF3Δ37 | AtPRF3Δ22 |
|---|---|---|---|---|
| PDB code | 6IQI | 6IQJ | 6IQF | 6IQK |
| Wavelength | 1.5406 | 1.5406 | 0.9537 | 0.9764 |
| Resolution range | 27.7–2.4 (2.48–2.40) | 36.77–1.92 (1.991–1.92) | 37.96–1.46 (1.509–1.46) | 49.24–3.6 (3.729–3.6) |
| Space group | P 3 2 1 | P 21 21 21 | C 1 2 1 | P 21 21 21 |
| Unit cell | 58.68, 58.68, 83.94, 90, 90, 120 | 51.52, 65.16, 73.53, 90, 90, 90 | 80.98, 52.86, 32.41, 90, 110.38 90 | 135.9, 153.37, 196.68, 90, 90, 90 |
| Total reflections | 54,868 | 65,543 | 143,911 | 1,315,156 |
| Unique reflections | 12,582 (1274) | 18,928 (1596) | 22,378 (2174) | 48,279 (4769) |
| Multiplicity | 4.20 | 3.50 | 6.43 | 27.20 |
| Completeness (%) | 99.12 (100.00) | 97.37 (84.44) | 96.7 (85.3) | 99.80 (99.79) |
| Mean I/σ(I) | 25.8 (1.7) | 9.3 (2.3) | 8.77 (0.88) | 5.99 (0.75) |
| Wilson B-factor | 52.38 | 13.96 | 25.02 | 115.08 |
| Rmeas | 0.058 | 0.13 | 0.077 | 0.58 |
| CC½ | 99.7 (73.4) | 99.8 (79.3) | 99.6 (63.4) | 99.1 (27.5) |
| Reflections used in refinement | 12,569 (1274) | 18,913 (1596) | 22,357 (2166) | 48,230 (4763) |
| Reflections used for Rfree | 1168 (96) | 929 (72) | 1062 (105) | 4822 (477) |
| Rwork | 0.2623 (0.3891) | 0.1834 (0.2333) | 0.1963 (0.4002) | 0.3014 (0.4123) |
| Rfree | 0.2968 (0.4503) | 0.2183 (0.3123) | 0.2156 (0.4381) | 0.3469 (0.4396) |
| Number of non-hydrogen atoms | 1969 | 2447.00 | 1024.00 | 11,558 |
| Macromolecules | 1950.00 | 2114.00 | 975.00 | 11558 |
| solvent | 19 | 333.00 | 49.00 | 0.00 |
| Protein residues | 260.00 | 283.00 | 130.00 | 1647 |
| RMS bonds | 0.004 | 0.00 | 0.01 | 0.003 |
| RMS angles | 0.87 | 1.03 | 1.23 | 0.63 |
| Ramachandran favored (%) | 96.09 | 98.18 | 96.90 | 92.34 |
| Ramachandran allowed (%) | 3.91 | 1.82 | 3.10 | 7.47 |
| Ramachandran outliers (%) | 0.00 | 0.00 | 0.00 | 0.19 |
| Rotamer outliers (%) | 0.00 | 0.00 | 0.00 | 0 |
| Clashscore | 12.23 | 2.15 | 2.58 | 5.77 |
| Average B-factor | 64.83 | 15.87 | 30.61 | 125.61 |
| Macromolecules | 64.59 | 14.38 | 30.27 | 125.61 |
| Solvent | 89.28 | 25.32 | 37.32 |