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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