Parameter | Form-I (unliganded) | Form-II (citrate-bound) |
---|---|---|
Resolution range (Ã…) a | 50.0-2.70 (2.80-2.70) | 50.0-1.90 (1.97-1.90) |
No. of atoms | Â | Â |
   Protein / Water / EDO / CIT b | 11748 / 204 / 16 / - | 5838 / 442 / 16 / 13 |
R-factors (%) c | Â | Â |
   Rwork / Rfree | 22.1 / 28.3 | 18.9 / 22.4 |
Correlation coefficient (%) d | 85.4 | 94.1 |
Wilson B-factor (Ã…2) | 53.4 | 41.9 |
Average B-factor (Ã…2) | Â | Â |
   Protein / Water / EDO / CIT | 44.7 / 10.4 / 45.8 / - | 36.1 / 44.2 / 56.4 / 33.9 |
RMS deviation | Â | Â |
   Bond length (Å) | 0.006 | 0.014 |
   Bond angle (°) | 0.977 | 1.414 |
   Dihedral angle (°) | 5.024 | 5.908 |
   Chiral-center restraints (Å3) | 0.066 | 0.098 |
   General planes (Å) | 0.003 | 0.006 |
Coordinate error: Luzzati (Ã…) | 0.412 | 0.237 |
Residues in Ramachandran map (% / number) | Â | Â |
   Most favoured region | 89.1 / 1,228 | 90.9 / 610 |
   Allowed region | 10.9 / 150 | 8.8 / 59 |
   Generously allowed region | 0 / 0 | 0.3 / 2 |
   Disallowed region | 0 / 0 | 0 / 0 |