Table 1 X-ray crystallography data collection parameters and structure refinement statistics.
The C-terminal Per-Arnt-Sim (PASb) domain of human HIF-3α9 bound to 18:1-1-monoacylglycerol, PDB ID 4wn5 | |||
|---|---|---|---|
Data Collection | Model Refinement | ||
Beamline | P13 at PETRA III | Resolution range (Å) | 28.5–1.15 |
Wavelength (Å) | 0.9770 | Reflections (cross-validation) | 68777 (5952) |
Space group | P21221 | Rfactor/Rfree (%) | 12.2/14.1 |
Cell parameters a, b, c (Å) | 52.7, 53.9, 67.8 | Average B-factor (Å2) | |
Resolution range (Å) | 28.5 – 1.15 (1.17 – 1.15) | main chain (no. of atoms) | 8.8 (870) |
Unique reflections | 68827 (3381) | side chain (no. of atoms) | 13.2 (812) |
Multiplicity | 9.8 (9.1) | ligands (no. of atoms) | 19.9 (155) |
Rpim (%) | 1.9 (5.2) | solvent (no. of atoms) | 28.0 (295) |
CC (½) | 0.998 (0.987) | ||
Completeness (%) | 99.3 (99.4) | R.m.s.d. from standard geometry | |
<I/σ(I)> | 22.8 (11.5) | bond length (Å) | 0.01 |
Average mosaicity (o) | 0.5 | bond angles (°) | 1.36 |
B-factor Wilson Plot (Å2) | 6.7 | ||
Monomers/AU | 2 | Ramachandran plot, | |
Solvent content (%) | 36.1 | favored (%) | 100 |
Matthews coeff. (A3/Da) | 1.92 | ||
