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. 2014 Apr 9;9(4):e94403. doi: 10.1371/journal.pone.0094403

Table 1. Data collection and refinement statistics1.

Native
Data collection
Space group P21
Unit cell a, b, c (Å)/β(°) 53.6, 78.6, 69.8/β = 93.1
Wavelength (Å) 0.97949
Resolution (Å) 34.2–1.70
Observed reflections 213256 (27255)
Unique reflections 63333 (8858)
Completeness (%) 99.2 (94.7)
Redundancy 3.4 (3.1)
Rmerge 0.078 (0.433)
I/σI 7.2 (2.1)
Refinement Statistics
Resolution (Å) 34.2–1.70
No. reflections work set 60,097
No. reflections test set 3,211
Rwork (%) 15.6
Rfree (%) 19.3
Protein atoms 4313
Solvent atoms 578
Wilson B (Å2) 24.0
Average B protein (Å2) 30.9
Average B solvent (Å2) 38.0
RMSD Bonds (Å) 0.017
RMSD Angles (°) 1.65
Ramachandran distribution
Most favored (%) 98.4
Additionally allowed (%) 1.6
1

values in parenthesis are for the highest resolution shell (1.79–1.70 Å).