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 |