Table 1 Crystallographic statistics reported for deposited CaM-FCME complex structure (PDB: 6OS4).

This crystal was grown at room temperature in 0.2 mM sodium acetate, 0.1 mM sodium cacodylate (pH 6.7), and 28% PEG 8000, with 1.25 mM CaM and 5 mM FCME, using the sitting drop-vapor diffusion method. The protein crystal was diffracted on the Canadian Macromolecular Crystallography Facility 08ID-1 Beamline at the Canadian Light Source at two wavelengths to collect native (n = 1) and anomalous scattering (n = 1) datasets, which were processed using HKL2000 and refined with Phenix. Values in parentheses are for the highest resolution shell. a, b, c, unit cell measurements; α, β, γ, unit cell angles; RMS, root mean square.

6OS4Native
FP2, SigFP2
Anomalous
I(+), SigI(+), I(−), SigI(−)
Wavelength1 Å1.77 Å
Resolution range34.78–1.81
(2.01–1.81)
34.78–2.05
(2.123–2.05)
Space groupP 61 2 2P 61 2 2
Unit cell: a, b, c
α, β, γ
40.379, 40.379, 338.137
90, 90, 120
40.379, 40.379, 338.137
90, 90, 120
Total reflections16289*19319*
Unique reflections11386 (1091)11372 (1075)
Multiplicity
Completeness (%)99.91 (99.63)99.84 (98.71)
Mean I/sigma(I)28*19.2*
Wilson B factor35.1542.8
Reflections used in refinement11380 (1087)11370 (1075)
Reflections used for R-free1139 (109)1138 (108)
R-work0.2024 (0.1934)0.1912 (0.2200)
R-free0.2418 (0.2195)0.2253 (0.2586)
Number of nonhydrogen atoms11941194
  Macromolecules11071107
  Ligands2727
  Solvent6060
Protein residues144144
RMS (bonds)0.0060.006
RMS (angles)0.750.75
Ramachandran favored (%)98.5998.59
Ramachandran allowed (%)1.411.41
Ramachandran outliers (%)00
Rotamer outliers (%)1.831.83
Clash score0.930.93
Average B factor47.6747.67
  Macromolecules47.1247.12
  Ligands78.1378.13
  Solvent44.2144.21

*Results from Phenix Xtriage.