Table 2.
Extended crystallographic statistics for R.i. RT domain crystals in two additional space groups.
|
R.i. Native 5IRF |
R.i. Se-MET 5IRG |
|
|---|---|---|
|
| ||
| Condition | Condition C | Condition B |
| Data collection | ||
| Space group | P1 | P212121 |
| Cell dimensions | ||
| a, b, c (Å) | 50.3, 79.2, 86.0 | 42.8, 145.4, 200.1 |
| α, β, γ (°) | 109.0, 99.6, 105.0 | 90.0, 90.0, 90.0 Peak |
|
Peak
|
||
| Wavelength (Å) | 0.97918 | 0.97918 |
| Resolution (Å) | 46.47–1.60 (1.66–1.60)a | 47.29–2.30 (2.38–2.30)a |
| R meas | 10.5% (143.0%) | 10.6% (83.2%) |
| I/σ(I) | 8.40 (0.97) | 14.53 (2.38) |
| CC 1/2 | 0.999 (0.576) | 0.999 (0.811) |
| Completeness (%) | 96.0% (91.0%) | 100% (100.0%) |
| Redundancy | 6.4 (5.0) | 7.2 (7.1) |
| Refinement | ||
| Resolution (Å) | 46.47–1.60 (1.66–1.60) | 47.29–2.30 (2.38–2.30) |
| No. reflections | 152861 (14510) | 109917 (10697) |
| Rwork / Rfree | 19.26%/22.72% | 19.07%/23.07% |
| No. atoms | 10474 | 9522 |
| Protein | 9447 | 9208 |
| Ion | 4 | 4 |
| Water | 1027 | 310 |
| B factors | 26.49 | 48.76 |
| Protein | 25.59 | 49.09 |
| Ion | 47.82 | 89.99 |
| Water | 34.59 | 38.39 |
| r.m.s deviations | ||
| Bond lengths (Å) | 0.006 | 0.002 |
| Bond angles (°) | 0.79 | 0.43 |
One crystal was used for each data set.
a
Values in parentheses are for highest-resolution shell.