Table 2 Data collection and refinement statistics.
From: Protein kinase A controls the hexosamine pathway by tuning the feedback inhibition of GFAT-1
GFAT-1 R203H | GFAT-1 L405R | GFAT-1 S205D | |
|---|---|---|---|
Data collection | |||
Wavelength (Å) | 1.00 | 1.00 | 0.97 |
Space group | P 41 21 2 | P 41 21 2 | P 41 21 2 |
Unit cell dimensions | |||
a, b, c (Å) | 152.8 152.8 164.8 | 152.9 152.9 166.2 | 153.6 153.6 166.1 |
α, β, γ (°) | 90 90 90 | 90 90 90 | 90 90 90 |
Resolution range (Å) | 48.65 –2.77 (2.87– 2.77) | 48.74–2.38 (2.47–2.38) | 73.07–2.22 (2.30 – 2.22) |
Rmerge (%) | 22.0 (230.5) | 11.1 (202.3) | 9.6 (255.2) |
I / σI | 14.05 (1.16) | 20.15 (1.23) | 22.99 (1.43) |
CC1/2 (%) | 99.7 (45.0) | 99.9 (50.1) | 100 (58.1) |
Completeness (%) | 99.8 (97.9) | 99.9 (99.2) | 99.5 (95.4) |
Redundancy | 13.3 (12.8) | 13.4 (13.3) | 25.8 (26.5) |
Refinement | |||
Reflections used in refinement | 49,787 | 78,970 | 97,286 |
Reflections used for R-free | 1993 | 1983 | 1933 |
Rwork / Rfree (%) | 20.1/23.9 | 19.3/21.1 | 17.7/19.4 |
Number of non-hydrogen atoms | 10,329 | 10,529 | 10,562 |
Macromolecules | 10,277 | 10,384 | 10,387 |
Ligands | 32 | 32 | 32 |
Solvent | 20 | 113 | 143 |
Average B-factor (Å2) | 95.73 | 84.61 | 79.58 |
Macromolecules | 95.97 | 85.11 | 79.96 |
Ligands | 52.14 | 49.82 | 50.92 |
Solvent | 42.46 | 48.53 | 58.74 |
R.m.s. deviations | |||
Bond lengths (Å) | 0.002 | 0.002 | 0.003 |
Bond angles (°) | 0.45 | 0.45 | 0.49 |
Ramachandran favored (%) | 95.9 | 96.3 | 96.8 |
Ramachandran allowed (%) | 4.0 | 3.5 | 3.2 |
Ramachandran outliers (%) | 0.08 | 0.23 | 0.15 |
Rotamer outliers (%) | 0.09 | 0.26 | 0.44 |
Clashscore | 0.78 | 0.67 | 0.67 |
PDB code | 6ZMJ | 6ZMK | 7NDL |
