Table 1. Data collection and refinement statistics.
| BiP(NBD) | Hsp70(NBD) | Hsc70(NBD) | Apo BiP oligomer | ADP BiP oligomer | |
|---|---|---|---|---|---|
| Data collection | |||||
| Synchrotron stations (DLS) | I03 | I04 | I04 | I24 | I24 |
| Space group | P1 | P212121 | P1211 | P1211 | P1211 |
| a,b,c; Å | 48.36, 51.86, 93.08 | 46.17, 63.71, 144.50 | 73.68, 78.04, 75.38 | 50.33, 51.29, 119.72 | 50.18, 51.25, 188.80 |
| α, β, γ; ⁰ | 78.07, 86.72, 62.28 | 90.00, 90.00, 90.00 | 90.00, 101.26, 90.00 | 90.00, 100.17, 90.00 | 90.00, 99.77, 90.00 |
| Resolution, Å* | 29.14-1.88 (1.92-1.88) | 29.53-1.52 (1.54-1.52) | 73.73-1.85 (1.89-1.85) | 59.92-1.77 (1.81-1.77) |
29.27-1.94 (1.99-1.94) |
| Rmerge* | 0.063 (0.989) | 0.065 (0.703) | 0.120 (1.005) | 0.054 (0.844) | 0.047 (0.533) |
| <I/σ(I)>* | 18.2 (1.8) | 14.0 (2.3) | 8.9 (1.4) | 9.9 (1.1) | 13.7 (2.0) |
| CC1/2* | 0.999 (0.669) | 0.998 (0.814) | 0.998 (0.633) | 0.975 (0.531) | 0.999 (0.717) |
| No. of unique reflections* | 62200 (3792) | 66932 (3125) | 71566 (4400) | 58872 (3347) | 43705 (2937) |
| Completeness, %* | 97.4 (90.4) | 99.7 (95.1) | 100.0 (100.0) | 99.9 (99.8) | 99.1 (94.5) |
| Redundancy* | 8.9 (7.5) | 6.7 (6.3) | 6.7 (5.7) | 3.2 (3.2) | 3.3 (3.2) |
| Refinement | |||||
| Rwork/Rfree | 0.209/0.225 | 0.196/0.212 | 0.218/0.247 | 0.185/0.217 | 0.184/0.226 |
| No. of atoms (non H) | 6137 | 3417 | 6399 | 4432 | 4327 |
| Average B-factors | 32.5 | 18.6 | 22.9 | 32.8 | 34.4 |
| RMS bond lengths Å | 0.002 | 0.002 | 0.002 | 0.006 | 0.006 |
| RMS bond angles,⁰ | 1.163 | 1.163 | 1.172 | 1.341 | 1.338 |
| Ramachandran favoured region, % | 99.34 | 99.17 | 98.28 | 98.66 | 98.27 |
| Ramachandran outliers, % | 0 | 0 | 0 | 0 | 0 |
| MolProbity score† | 0.78 (100) | 0.83 (100) | 0.80 (100) | 0.96 (100) | 0.99 (100) |
| PDB code | 6ZYH | 6ZYI | 6ZYJ | 7A4U | 7A4V |
*Values in parentheses are for highest-resolution shell.†100thpercentile is the best among structures of comparable resolutions. 0thpercentile is the worst.