Table I.
Summary of Data Collection and Refinement Statistics
| Diffraction Data | GRP94NΔ41 + GDM | GRP94NΔ41 + Radamide | yHsp82N + Radamide |
|---|---|---|---|
|
Diffraction Data Statistics | |||
| PDB code | 2EXL | 2GFD | 2FXS |
| Source | RaxisII | APS 22-BM | APS 22-BM |
| Space Group | P212121 | P212121 | P4322 |
| a, b, c (Å) | 65.82, 84.36, 95.63 | 65.49, 84.57, 95.58 | 75.20, 75.20, 110.85 |
| Wavelength (Å) | 1.5418 | 0.99997 | 0.99997 |
| Resolution (Å)a | 50–2.30 | 50–2.15 | 50–2.0 |
| (Last Shell) (Å) | 2.4–2.3 | 2.25–2.15 | 2.05–2.00 |
| Unique Reflections | 22646 | 29502 | 21635 |
| Completeness (Last Shell) (%) | 93.2 (46.5) | 99.8 (100) | 99.9 (99.9) |
| Average I/σI (Last Shell) | 12.1 (3.5) | 15.8 (5.6) | 29.8 (5.7) |
| Redundancy | 3.9 | 7.2 | 14.0 |
| Rsymb (Last Shell) (%) | 9.9 (28.8) | 8.4 (38.6) | 6.9 (46.3) |
|
| |||
|
Refinement Statistics | |||
| Refinement Package | CNS 1.1 | CNS 1.1 | CNS 1.1 |
| Resolution range (Å) | 50–2.35 | 50–2.3 | 50–2.0 |
| Reflections | 22516 | 24181 | 21617 |
| Non-solvent atomsc | 3249 | 3352 | 1686 |
| Solvent and hetero- atomsc | 430 | 408 | 321 |
| Molecules in Asymmetric Unit | 2 | 2 | 1 |
| Rms deviation from ideality | |||
| Bond lengths (Å) | .00621 | 0.00596 | .00562 |
| Bond angles (°) | 1.310 | 1.237 | 1.340 |
| Rd value (%) | 22.1 | 21.1 | 19.6 |
| Rd free (%) | 27.6 | 25.4 | 22.6 |
a
Resolution limit was defined as the highest resolution shell where the average I/σI was >2.
b
Rmerge = ΣhklΣi|Ii(hkl) - <I(hkl)>|/ΣhklΣII(hkl).
c
Alternate atoms are counted once.
d
R = Σ|Fo - Fc|/ΣFo. 10% of reflections were used to calculate Rfree.