TABLE 1.
Ufd2·Rad23-UBL | Ufd2·Dsk2-UBL | |
---|---|---|
Resolution limit (Å) | 45.2-2.4 | 73.5-2.4 |
No. of reflections | 56,268 | 55,087 |
No. of protein/ligand/solvent atoms | 8303/17/298 | 8288/17/182 |
Rcryst (Rfree)a,b | 0.203 (0.257) | 0.210 (0.270) |
r.m.s. deviations in: | ||
Bond lengths (Å) | 0.016 | 0.015 |
Bond angles (°) | 1.711 | 1.610 |
Estimated coordinate error (Å) | 0.25 | 0.26 |
Overall average B-factor (Å2) | 25.7 | 42.9 |
Ramachandran statistics (%)c | 93.1/97.9/2.1 | 93.8/98.4/1.6 |
a Rcryst = Σhkl‖Fo| − |Fc‖/Σhkl|Fo| where Fo and Fc are the observed and calculated structure factor amplitudes.
b Rfree, same as Rcryst for 5% of the data randomly omitted from the refinement. The estimated coordinate error is based on Rfree.
c Ramachandran statistics indicate the fraction of residues in the favored (98%), allowed (>99.8%), and disallowed regions of the Ramachandran diagram, as defined by MolProbity (64).