Table II. Summary of refinement statistics and final stereochemistry.
| Resolution (Å) | 20.0–2.4 |
| No. of non-H protein atoms | 5851 |
| No. of heterogen atoms | 174 |
| No. of water molecules | 119 |
| Rcrysta,b (%) | 22.2 (25.4) |
| Rfreea,c (%) | 26.4 (29.9) |
| Average B (Å)2 | 50.6 |
| R.m.s. deviation bond length (Å) | 0.008 |
| R.m.s. deviation bond angles (°) | 1.6 |
| R.m.s. deviation bonded B-factors (Å)2 | 3.853 |
aValues in parentheses correspond to the last resolution shell from 2.49 to 2.40 Å.
b
where Foh and Fch are the observed and the calculated structure factor amplitudes for reflection h.
cRfree was calculated by randomly omitting 5% of the observed reflections from refinement and R-factor calculation.