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. 2009 Nov 20;19(1):162–167. doi: 10.1002/pro.290

Table 1.

Data Collection and Refinement Statistics

TopBP1 BRCT6
Data Collection
Space group P212121
Unit-cell parameters (Å) a = 35.77, b = 51.82, c = 62.09
Resolution range (Å) 50–1.34 (1.39–1.34)
No. of reflections 173,010
Unique reflections 26,433 (2396)
Rsyma (%) 4.3 (32.6)
I/σ(I) 30.2 (2.1)
Completeness (%) 99.0 (91.6)
Redundancy 6.5 (3.3)
Refinement
Resolution (Å) 39.78–1.34
No. of reflections 25,049 (1644)
Rwork/Rfree (%)b 15.8/17.3
No. of atoms
Overall 971
Protein 818
Waters 153
Average B factor (Å2)
Overall 12.11
Protein 9.97
Waters 23.57
R.m.s. deviations
Bonds (Å) 0.009
Angles (°) 1.208
Ramachandran
Most favored (%) 90.5
Additionally allowed (%) 9.5
Generously allowed (%) 0
a

Rsym = S|I−〈I〉|2/S|I2|

b

R = S||Fo|−|Fc||/S|Fo|, Rfree was calculated from 5% of the data excluded from refinement.