From: Crystal structure of Leishmania tarentolae hypoxanthine-guanine phosphoribosyltransferase
Crystal parameters | |
---|---|
Space group | P 212121 |
unit cell (Å) | a = 58.1, b = 85.4, c = 87.6 |
Matthews' volume (Å3/Da) | 2.3 |
solvent content (%) | 46.6 |
Data reduction statistics (a) | |
high resolution limit (Å) | 2.1 |
completeness (%) | 94.9 (96.8) |
R sym | 0.093 (0.414) |
<I/σ(I)> | 15.6 (3.8) |
observed unique reflections | 24801 (1930) |
redundancy | 5.7 (5.5) |
Model refinement statistics | |
high resolution limit (Å) | 2.1 |
R work | 0.17 |
R free | 0.21 |
number of protein atoms (2 monomers) (b) | 2715 (19) |
number of solvent molecules | 243 |
number of GMP atoms (2 molecules) (b) | 61 (13) |
average isotropic B-factor (protein – Å2) | 33.1 |
RMS deviations | |
bond lengths (Å) | 0.02 |
bond angles (°) | 2.0 |
torsion angles (°) | 16.8 |
improper angles (°) | 0.1 |
Ramachandran plot (%) | |
most favored | 90.0 |
additionally allowed | 8.7 |
generally allowed | 1.3 |
disallowed | 0 |
⟨real-space CC⟩ (c) | 0.94 |
σreal-space CC | 0.07 |
No. Of residues with real-space CC < (⟨CC⟩ – σ CC ) | 37 (10.9%) |
Directional atomic contact analysis (d) | |
all contacts Z-score | 0.72 |
backbone-backbone contacts Z-score | -0.24 |
backbone-side chain contacts Z-score | 0.02 |
side chain-backbone contacts Z-score | 0.15 |
side chain-side chain contacts Z-score | 2.03 |