TABLE 2.
Refinement statistics
| Parameter | Value
|
||
|---|---|---|---|
| Short-peptide complex | Long-peptide complex form:
|
||
| A | B | ||
| Resolution range (Å) | 15-2.1 | 15-2.5 | 8-2.6 |
| R factor* | 0.178 | 0.237 | 0.254 |
| Free R factora | 0.241 | 0.316 | 0.319 |
| Bond length deviation from ideality (Å) | 0.013 | 0.013 | 0.012 |
| Bond angle deviation from ideality (degrees) | 1.4 | 2.0 | 1.8 |
| Avg B (protein atoms) (Å2) | 20 | 42 | 24 |
| Avg B (water molecules) (Å2) | 33 | 41 | 26 |
| Avg B (peptide inhibitor)b (Å2) | 24 | 45 | 29 |
| DnaK residues included in the model | 389-601 (chain A) | 389-600 (chain A) | 389-600 (chain A) |
| 389-603 (B) | 389-602 (B) | 391-602 (B) | |
| 389-550, 560-600 (E) | |||
| 389-602 (F) | |||
| Ramachandran plotc | 96.5/3.5/0/0 | 88.6/10.4/1.0/0 | 82.5/16.3/1.2/0 |
a
R = Σ (Fobs − Fcalc) /Σ (Fobs).
b
The free R factor was calculated on 5% of the data omitted at random.
c
Percent most favored/additionally allowed/generously allowed/disallowed.