Data and refinement statistics
| Type of data . | Category . | Result . |
|---|---|---|
| Diffraction data | ||
| Resolution | 2.0 Å | |
| Source | P212121 | |
| Unit cell (a) | 64.5 Å | |
| (b) | 73.7 Å | |
| (c) | 112.4 Å | |
| Wavelength | 1.07 Å | |
| Unique reflections | 36 867 | |
| Redundancy | 7.7 | |
| Completeness* | 99.6 (98.8) | |
| Rmerge | 6.1 | |
| Refinement | ||
| Resolution range | 50-2.0 Å | |
| Rcryst | 20.4% | |
| Rfree(10%) | 25.5% | |
| No. of protein atoms | 4335 | |
| No. of solvent atoms | 477 | |
| Ramachandran dist. | 87.8, 11.4 | |
| (% core, allowed, generously allowed, disallowed) | 0.4, 0.4† | |
| rms bonds, angles | 0.0054, 1.33 | |
| Average 〈B〉1-153 | 24.25 | |
| Molecular replacement‡ | ||
| Model 1 (variable domain) | Correlation coefficient 0.416 R value 0.733 | |
| Model 2 (C2 domain) | Correlation coefficient 0.381 R value 0.753 | |
| Model 3 (constant domain) | Correlation coefficient 0.564 R value 0.651 |
| Type of data . | Category . | Result . |
|---|---|---|
| Diffraction data | ||
| Resolution | 2.0 Å | |
| Source | P212121 | |
| Unit cell (a) | 64.5 Å | |
| (b) | 73.7 Å | |
| (c) | 112.4 Å | |
| Wavelength | 1.07 Å | |
| Unique reflections | 36 867 | |
| Redundancy | 7.7 | |
| Completeness* | 99.6 (98.8) | |
| Rmerge | 6.1 | |
| Refinement | ||
| Resolution range | 50-2.0 Å | |
| Rcryst | 20.4% | |
| Rfree(10%) | 25.5% | |
| No. of protein atoms | 4335 | |
| No. of solvent atoms | 477 | |
| Ramachandran dist. | 87.8, 11.4 | |
| (% core, allowed, generously allowed, disallowed) | 0.4, 0.4† | |
| rms bonds, angles | 0.0054, 1.33 | |
| Average 〈B〉1-153 | 24.25 | |
| Molecular replacement‡ | ||
| Model 1 (variable domain) | Correlation coefficient 0.416 R value 0.733 | |
| Model 2 (C2 domain) | Correlation coefficient 0.381 R value 0.753 | |
| Model 3 (constant domain) | Correlation coefficient 0.564 R value 0.651 |
Rcryst indicates refinement R-factor; Rfree, cross-validation R-factor on 5% of randomly selected reflections.
Completeness is reported for all reflections and for the highest resolution shell.
Two residues (A52 and H2315) are in the disallowed region of the Ramachandran plot. Both residues have good electron density to indicate proper conformation.
Values reported by EPMR version 2.1.
Average temperature factor of crystallographic structure.