TABLE 1.
Crystallographic data and refinement statistics
| Native pUL50-pUL53 | Se-Met pUL50-pUL53 | |
|---|---|---|
| Data collection | BESSY 14.1 | PETRA III P14 |
| Space group | P6 | P6 |
| Cell dimensions | ||
| a, b, c (Å) | 118.16 118.16 73.62 | 119.67 119.67 74.13 |
| α, β, γ (°) | 90 90 120 | 90 90 120 |
| Resolution (Å) | 50–2.44 (2.50–2.44)a | 50–3.00 (3.08–3.00) |
| No. of reflections | 21,930 | 23,546 |
| Wavelength (Å) | 0.9184 | 0.9794 |
| Mean I/σI | 13.5 (1.3) | 18.2 (1.4) |
| CC ½ (%) | 99.9 (79.0) | 99.9 (58.3) |
| Crystal mosaicity (°) | 0.08 | 0.17 |
| Completeness (%) | 99.9 (99.9) | 100 (99.9) |
| Rsym (%) | 8.8 (129.8) | 12.0 (193.9) |
| Redundancy | 6.8 (6.6) | 20.00 (10.1) |
| Wilson B-factor (Å2) | 68.3 | 98.2 |
| Mean (|F(+) − F(−)|/σF) | 0.8 | 1.8 |
| Refinement | ||
| Rwork/Rfree (%) | 22.1/28.7 | |
| No. of protein atoms | 3081 | |
| No. of non-protein atoms | 1 Zn2+, 20 solvent molecules | |
| r.m.s.d. valuesb | ||
| Bond lengths (Å) | 0.010 | |
| Angles (°) | 1.413 | |
| Φ/Ψ plotc | ||
| Most favored (%) | 92.0 | |
| Allowed (%) | 7.5 | |
| Generally allowed (%) | 0.6 | |
| Disallowed (%) | 0.0 | |
| Average B value (Å2) | ||
| Protein | 78.9 | |
| Zn2+ | 62.2 | |
| Solvent molecules | 54.0 | |
aValues for the highest resolution shell are provided in parentheses.
br.m.s.d. values, root mean square deviation values.
cAs calculated with the program PROCHECK (21).