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Table 1 Data collection and refinement statistics for FERM structure: PDB code 6CB0

From: High resolution crystal structure of the FAK FERM domain reveals new insights on the Druggability of tyrosine 397 and the Src SH3 binding site

Data collection
 Wavelength (Å) 0.9787
 Resolution range (Å) 123.90–1.97 (2.08–1.97)
 Space group P 21 21 21
 Unit cell 50.15123.90135.16 90 90 90
 Total reflections 400,847
 Unique reflections 55,766 (6816)
 Multiplicity 7.2 (7.2)
 Completeness (%) 92.43 (78.50)
 Mean I/sigma (I) 21.5 (1.99)
 Wilson B-factor 35.34
 R-merge (%) 5.2 (82.3)
Refinement
 Resolution range (Å) 50.01–1.97 (2.02–1.97)
 Number Reflections/unique 55,679 / 52,861 (4186)
 Completeness (%) 92.43 (99.98)
 Mean I/sigma(I) 19.8 (2.0)
 Reflection used for Rfree (%) 5.1
 R-work (%) 17.3 (24.7)
 R-free (%) 21.2 (29.0)
 Number of non-hydrogen atoms 5890
 Macromolecules 5491
 Water 399
 Protein residues 700
 RMS (bonds) 0.019
 RMS (angles) 1.79
 Ramachandran favored (%) 97.4
 Ramachandran allowed (%) 2.5
 Ramachandran outliers (%) 0.1
 Clashscore 2.59
 Average B-factor 45.35
 Macromolecules 45.06
 Solvent 49.30
  1. Statistics for the highest-resolution shell are shown in parentheses