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. 2016 May 6;6:25526. doi: 10.1038/srep25526

Table 1. Crystallographic statistics.

Data collection Native
X-ray source Synchrotron (PAL 5C)
Detector ADSC Quantum 315r
Wavelength 0.97760
Space group P212121
Cell dimensions
a, b, c 75.3 Å, 79.4 Å, 108.0 Å
 Resolution 50–2.8 Å
 Wilson B-factor 58.57 Å2
No.of unique reflections overall 15,860 (729)
Rsym 6% (19%)
II 31.2 (4.4)
Completeness 94.7% (91.8%)
Redundancy 5.0 (3.3)
Refinement
 Resolution 30–2.8 Å
 No. of reflections used (completeness) 15,792 (94.8%)
 No. of non-H protein atoms 4,599
 No. of water molecules 13
 No. of ions 0
Rwork 21.0% (26.8%)
Rfree 26.2% (29.1%)
Average B-factors
 Protein 52.1 Å2
 Water and other small molecules 42.4 Å2
r.m.s. deviations
 B-factor for bonded atoms 8.86
 Bond lengths 0.011 Å
 Bond angles 1.442°
MolProbity analysis
 Ramachandran outliers 0.00%
 Ramachandran favoured 95.35%
 Ramachandran allowed 4.65%
 Rotamer outliers 0.39%
 C-beta deviations 0
 Clashscore 16.41

Highest resolution shell is shown in parenthesis.