Table 3

Crystallographic data- statistics
Data set EhCaBP1-Pb EhCaBP1-Sr EhCaBP1-Ba
Crystallographic Data
X-ray Source MicroStar Elettra MicroStar
Wavelength (Å) 1.5418 1.0 1.5418
Space group P63 P63 P63
Unit-cell parameters (Å) a = 95.264, a = 95.429, a = 95.210,
b = 95.264, b = 95.429, b = 95.210,
c = 64.597 c = 63.973 c = 62.986
Resolution range (Å) 28.08-3.0 30-3.0 50-3.2
Rsym (%) 4.66 (36.4) 6.80 (45.4) 6.70 (62.8)
Completeness (%) 99.8 (100) 94.9 (96.8) 99.6 (98.7)
Observations (N) 24659 26059 28321
Unique observations (N) 6763 6442 5485
Redundancy 8.8 (8.1) 4.0 (4.0) 5.2 (4.4)
Average I/s (I) 15.2 (1.9) 18.81 (2.8) 15.4 (1.8)
Crystal mosaicity (º) 0.5 0.5 1.0
Refinement
Resolution (Å) 28.08-3.0 30-3.0 50-3.2
R-factor (%) 24.24 25.23 24.70
Free R-factor (%) 28.67 27.99 31.40
Mean B-factor(Å2) 71.80 95.18 122.09
Atoms (N) Protein/HA/ACT/water 996/4/2/45 1000/4/0/27 966/6/0/21
RMS deviations
Bonds (Å) 0.009 0.008 0.010
Bond angles (°) 1.7 1.2 1.3
Cross validated error 0.47 0.50 0.49

HA = Heavy Atom, ACT = Acetate.

Values in parentheses are for the highest resolution shell.

Free R-factors were calculated with a subset of randomly selected reflections (10.7% for EhCaBP1-Pb, 9.4% for EhCaBP1-Sr and 4.4% for EhCaBP1-Ba complex).

Kumar et al.

Kumar et al. BMC Biophysics 2012 5:15   doi:10.1186/2046-1682-5-15

Open Data