Table 1.
Data collection | |
Space group | P41212 |
Unit cell | a = b = 99.8 Å, c = 90.4 Å |
Resolution range | 100–2.3 Å (2.44–2.30 Å) |
No. of unique reflections | 20,411 (3,206) |
Completeness | 96.4% (92.5%) |
I/σ(I) > 3 | 82.8% (65.7%) |
R-merge | 8.1% (33.0%) |
Refinement statistics (30 to 2.3-Å resolution) | |
Reflections | 18,805 |
R-factor | 20.1% |
Rfree-factor | 26.2% |
No. of protein nonhydrogen atoms | 2,460 |
No. of X-bp residues | 252 |
No. of Gla-domain residues | 44 |
No. of calcium ions | 12 |
No. of water molecules | 181 |
rms deviations from ideal geometry | |
Bond lengths | 0.008 Å |
Bond angles | 1.5° |
Overall average B-factor | 24.3 Å2 |
Average B-factor (protein) | 23.9 Å2 |
Average B-factor (calcium) | 21.9 Å2 |
Average B-factor (water) | 30.2 Å2 |