Table 1.

X-ray data collection and refinement statistics

CID_BD PDB: 9PHH
Data collection 
Space group P 41 21 2 
Wavelength 0.97741 
Beamline ALS 501 
Cell dimensions 
a, b, c (Å) 62.9, 62.9, 166.6 
α, β, γ (°) 90, 90, 90 
Resolution (Å)* 44.48–2.80 (8.85–2.80) 
Rmerge* 0.060 (0.428) 
II* 36.0 (7.9) 
Completeness (%)* 100 (100) 
Redundancy* 25.1 (25.3) 
Refinement 
Resolution (Å)* 42.98–2.80 (2.98–2.80) 
No. reflections* 8,823 (1,422) 
Rwork/Rfree* 0.258/0.289 (0.428/0.459) 
No. atoms 
Protein 1,223 
Ligand/ion 
Water 
B-factors ​ 
Protein 60.3 
Ligand/ion – 
Water – 
MolProbity 1.27 (100th percentile) 
R.m.s. deviations 
Bond lengths (Å) 0.24 
Bond angles (°) 0.41 
Ramachandran 
Favored (%) 149 (94.3) 
Allowed (%) 9 (5.7) 
Outlier (%) 0 (0) 
CID_BD PDB: 9PHH
Data collection 
Space group P 41 21 2 
Wavelength 0.97741 
Beamline ALS 501 
Cell dimensions 
a, b, c (Å) 62.9, 62.9, 166.6 
α, β, γ (°) 90, 90, 90 
Resolution (Å)* 44.48–2.80 (8.85–2.80) 
Rmerge* 0.060 (0.428) 
II* 36.0 (7.9) 
Completeness (%)* 100 (100) 
Redundancy* 25.1 (25.3) 
Refinement 
Resolution (Å)* 42.98–2.80 (2.98–2.80) 
No. reflections* 8,823 (1,422) 
Rwork/Rfree* 0.258/0.289 (0.428/0.459) 
No. atoms 
Protein 1,223 
Ligand/ion 
Water 
B-factors ​ 
Protein 60.3 
Ligand/ion – 
Water – 
MolProbity 1.27 (100th percentile) 
R.m.s. deviations 
Bond lengths (Å) 0.24 
Bond angles (°) 0.41 
Ramachandran 
Favored (%) 149 (94.3) 
Allowed (%) 9 (5.7) 
Outlier (%) 0 (0) 

* Values in parentheses are for highest-resolution shell.

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