Table 2.
Summary of crystallographic refinement
| HisRS:HisAMP | HisRS:HisOH:ATP | |
|---|---|---|
| Resolution | 12.0–2.6 | 12.0–2.8 |
| Reflections (F > 3σ) | 52,794 | 38,015 |
| Rcryst (%) | 22.1 | 24.9 |
| Rfree (%) | 29.6 | 34.8 |
| rms dev. bonds, Å | 0.012 | 0.015 |
| rms dev. angles, ° | 1.699 | 1.915 |
| rms dev. dihedrals | 24.492 | 24.799 |
| rms dev. impropers | 1.376 | 1.557 |
| Mean B-factor, Å2 | 47.0 | 44.0 |
| No. of protein atoms | 11,630 | 11,547 |
| No. of cofactor atoms | 132 | 164 |
| No. of solvent atoms | 197 | 39 |
dev., deviation. Rcryst = Σhkl | Fhklobs − Fhklcalc |/Σhkl | Fhklobs |, testhkl = 0. Rfree = Σhkl | Fhklobs − Fhklcalc |/Σhkl | Fhklobs |, testhkl = 1 (2.5% of reflections were used for this calculation; ref. 18, no. 1836).