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. 2015 Feb 8;43(4):2424–2432. doi: 10.1093/nar/gkv096

Table 1. X-ray diffraction and refinement statistics.

Crystal Pre-TS cleavage Mos1 PEC
PDB ID 4U7B
Space group C222(1)
Cell dimensions a = 96.2 Å, b = 339.5 Å, c = 160.2 Å
Wavelength (Å) 0.97625
Average mosaicity 0.46
Overall Outer shell
Resolution (Å) 92.51–3.09 3.27–3.09
Rmerge 0.134 0.442
Total observations 385605 56422
Unique observations 47937 6890
< I>/σ<I> 8.9 3.4
Completeness (%) 99.7 99.7
Multiplicity 8.0 8.2
Rwork 0.229
Rfree 0.262
r.m.s.d. from ideality 0.0051
Bond Length (Å)
Bond angle (deg) 0.982
Chirality (Å) 0.0675
Ramachandran plot: preferred (%) 94.31
Allowed (%) 5.59
Outliers (%) 0.1
Average B-factor (Å2) 108.0
Wilson B-factor (Å2) 79.6