Table 1.
Statistics on the data collection and refinement.
FAF1 UBL1 | FAF1 L-UBL1 complexed to | ||||
---|---|---|---|---|---|
Hsp70 NBD with ADP + Pi | |||||
Native | SeMet MAD | Native | |||
Peak | Edge | Remote | |||
Data collection | |||||
Beam line | PLS BL-5C | ||||
Wavelength, Å | 1.0000 | 0.9794 | 0.9796 | 0.9717 | 1.0000 |
Space group | P42212 | P3121 | |||
Cell dimensions | |||||
a, Å | 65.02 | 65.02 | 103.33 | ||
b, Å | 65.02 | 65.02 | 103.33 | ||
c, Å | 33.56 | 33.55 | 127.09 | ||
α, ° | 90.00 | 90.00 | 90.00 | ||
β, ° | 90.00 | 90.00 | 90.00 | ||
γ, ° | 90.00 | 90.00 | 120.00 | ||
a Resolution, Å | 50.0–1.2 | 50.0–1.6 | 50.0–2.2 | ||
(1.28–1.20) | (1.66–1.60) | (2.28–2.20) | |||
Total reflections | 659957 | 321179 | 321309 | 32847 | 1609110 |
Unique reflections | 23153 | 18815 | 18830 | 18813 | 40388 |
a Completeness, % | 99.7 (99.6) | 99.3 (99.0) | 99.2 (98.8) | 99.2 (98.8) | 99.9 (99.9) |
a I/σ(I) | 49.6 (6.9) | 37.9 (6.8) | 37.3 (6.9) | 37.8 (7.1) | 24.4 (5.2) |
b R merge, % | 5.0 (21.6) | 8.3 (20.7) | 6.5 (19.6) | 6.4 (19.7) | 9.8 (32.2) |
Refinement | |||||
Resolution, Å | 50.0–1.2 | 50.0–2.2 | |||
c R cryst/Rfree, % | 22.2/24.3 | 17.4/20.6 | |||
No. of protein atoms | 591 | 3638 | |||
No. of water atoms | 169 | 454 | |||
RMS deviation | |||||
Bond length, Å | 0.005 | 0.007 | |||
Bond angle, ° | 0.771 | 0.876 | |||
Ramachandran analysis | |||||
Favored region, % | 98.63 | 96.92 | |||
Allowed region, % | 1.37 | 3.08 | |||
PDB code | 7FGN | 7FGM |
a Values in parentheses are for the outer most resolution shell.
b R merge = ∑h∑i|I(h,i)−<I(h)>|/∑h∑iI(h,i), where I(h,i) is the intensity of the ith measurement of reflection h and <I(h)> is the mean value of I(h,i) for all i measurements.
c R free was calculated from randomly selected 5% set of reflections not included in the calculation of the R value.