Table 1 Data collection and refinement statistics of wild type GFAT-1.
GFAT-1 WT +Glu+Glc6P | GFAT-1 WT +Glu+GlcN6P | GFAT-1 WT w/o Glu+Glc6P | GFAT-1 WT w/o Glu+Glc6P +UDPGlcNAc | GFAT-1 WT +Glu+Glc6P +UDPGlcNAc | |
|---|---|---|---|---|---|
Wavelength (Å) | 0.98 | 0.98 | 1.00 | 1.00 | 1.00 |
Resolution range (Å) | 40.13–2.35 (2.44–2.35) | 48.33–2.33 (2.41–2.33) | 48.81–2.50 (2.59–2.50) | 46.36–2.50 (2.59–2.50) | 48.66–2.53 (2.62–2.53) |
Space group | P 41 21 2 | P 41 21 2 | P 41 21 2 | P 41 21 2 | P 41 21 2 |
a, b, c (Å) | 153.9 153.9 166.3 | 152.8 152.8 165.4 | 153.0 153.0 167.9 | 152.4 152.4 169.3 | 152.6 152.6 166.5 |
α, β, γ (°) | 90 90 90 | 90 90 90 | 90 90 90 | 90 90 90 | 90 90 90 |
Total reflections | 1,068,061 (96,281) | 1,870,831 (170,057) | 891,471 (74,962) | 685,152 (65,470) | 866,824 (78,008) |
Unique reflections | 82,721 (7933) | 84,017 (8181) | 69,161 (6763) | 69,149 (6736) | 65,754 (6299) |
Multiplicity | 12.9 (12.1) | 22.3 (20.8) | 12.9 (11.1) | 9.9 (9.7) | 13.2 (12.4) |
Completeness (%) | 99.6 (96.8) | 99.8 (98.8) | 99.9 (98.9) | 99.8 (98.9) | 99.7 (97.0) |
Mean I/sigma (I) | 18.10 (1.57) | 18.80 (1.08) | 20.61 (1.11) | 19.93 (1.39) | 14.98 (1.05) |
Wilson B-factor | 61.6 | 60.1 | 62.8 | 58.8 | 57.5 |
Rmerge (%) | 8.4 (133.7) | 11.8 (230.2) | 10.1 (189.9) | 9.6 (146.2) | 16.0 (215.9) |
Rmeas (%) | 8.8 (139.5) | 12.0 (235.9) | 10.5 (199.1) | 10.1 (154.3) | 16.7 (225.1) |
Rpim (%) | 2.4 (39.6) | 2.5 (51.1) | 2.9 (59.3) | 3.2 (48.7) | 4.6 (63.1) |
CC1/2 (%) | 99.9 (68.6) | 99.9 (55.8) | 99.9 (45.2) | 99.9 (55.6) | 99.9 (41.7) |
CC* (%) | 100 (90.2) | 100 (84.6) | 100 (78.9) | 100 (84.5) | 100 (76.7) |
Reflections used in refinement | 82,715 (7933) | 83,998 (8181) | 69,156 (6763) | 69,139 (6736) | 65,747 (6299) |
Reflections used for R-free | 1991 (193) | 1927 (185) | 1936 (189) | 1935 (189) | 1972 (190) |
Rwork (%) | 17.5 (25.8) | 19.0 (31.7) | 19.4 (31.4) | 19.0 (30.7) | 19.7 (30.4) |
Rfree (%) | 20.9 (31.5) | 22.5 (36.9) | 21.4 (32.9) | 21.7 (36.0) | 22.4 (31.6) |
CCwork (%) | 96.9 (81.8) | 96.7 (72.8) | 95.9 (68.6) | 96.4 (71.5) | 96.0 (67.3) |
CCfree (%) | 93.2 (71.1) | 94.2 (62.4) | 96.6 (70.9) | 95.5 (59.4) | 94.1 (60.4) |
Number of non-hydrogen atoms | 10,552 | 10,574 | 10,339 | 10,481 | 10,514 |
Macromolecules | 10,440 | 10,440 | 10,236 | 10,296 | 10,332 |
Ligands | 32 | 32 | 32 | 112 | 112 |
Solvent | 80 | 102 | 71 | 73 | 70 |
Protein residues | 1323 | 1321 | 1297 | 1304 | 1306 |
RMS (bonds) (Å) | 0.002 | 0.002 | 0.003 | 0.002 | 0.002 |
RMS (angles) (°) | 0.45 | 0.46 | 0.49 | 0.45 | 0.44 |
Ramachandran favored (%) | 97 | 96 | 96 | 96 | 96 |
Ramachandran allowed (%) | 3.2 | 3.5 | 4.1 | 3.6 | 3.9 |
Ramachandran outliers (%) | 0.076 | 0.15 | 0.23 | 0.15 | 0.15 |
Rotamer outliers (%) | 0.17 | 0.17 | 0.27 | 0.26 | 0.088 |
Clashscore | 0.57 | 0.72 | 0.73 | 0.67 | 0.62 |
Average B-factor | 90.33 | 89.70 | 103.10 | 90.04 | 92.39 |
Macromolecules | 90.68 | 90.13 | 103.53 | 90.58 | 92.99 |
Ligands | 60.92 | 57.45 | 70.99 | 66.57 | 64.29 |
Solvent | 57.06 | 55.88 | 54.91 | 49.71 | 49.12 |
Number of TLS groups | 4 | 4 | 4 | 4 | 4 |
PDB code | 6R4E | 6SVO | 6R4F | 6R4G | 6SVP |
