Table 1 X-ray diffraction data collection and refinement statistics.
Crystallographic Data | EgtD-HD2 (PDB: 7SCF) | EgtD-HD3 (PDB: 7SF5) | EgtD-HD6 (PDB: 7SEW) | EgtD-TGX221 (PDB: 7SEX) | EgtD-SGH (PDB: 7SEY) | EgtD-Imatinib (PDB: 7SF4) |
|---|---|---|---|---|---|---|
Beamline/Facility | 21-ID-D-APS | 21-ID-D-APS | 21-ID-D-APS | 21-ID-D-APS | 21-ID-D-APS | 21-ID-D-APS |
Wavelength (Ã…) | 0.98 | 0.98 | 0.98 | 0.98 | 0.98 | 0.98 |
Space group | P212121 | P212121 | P41212 | P41212 | P41212 | P212121 |
Unit cell dimensions a, b, c (Ã…) | 69.10, 71.57, 145.09 | 69.15, 70.28, 143.88 | 69.79, 69.79, 144.47 | 69.02, 69.02, 140.92 | 69.28, 69.28, 142.13 | 69.11, 71.26, 145.02 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 50.95–2.67 | 49.85–2.52 | 49.35–1.72 | 49.31–2.20 | 39.11–2.39 | 40.00–2.81 |
No. reflections unique | 21,089 (2068) | 24,381 (2384) | 31,266 (1383) | 17,958 (1712) | 214,149 (6673) | 17,545 (1587) |
Completeness (%) | 99.84 (99.18) | 99.86 (99.62) | 80.57 (36.20) | 99.78 (98.33) | 88.10 (53.91) | 96.77 (87.56) |
R merge | 0.10 (0.45) | 0.10 (0.62) | 0.09 (0.35) | 0.08 (0.57) | 0.15 (1.93) | 0.15 (0.68) |
CC 1/2 | 0.96 (0.44) | 0.98 (0.55) | 0.99 (0.45) | 0.95 (0.67) | 0.99 (0.63) | 0.95 (0.72) |
Refinement | ||||||
Resolution (Å) | 50.95–2.67 | 49.85–2.52 | 49.35–1.72 | 49.31–2.20 | 39.11–2.39 | 40–2.81 |
No. Reflections (Unique) | 21,067 | 24,352 | 31,250 | 17,957 | 12,659 | 17,457 |
Rwork /Rfree | 0.21/0.28 | 0.20/0.26 | 0.19/0.23 | 0.17/0.22 | 0.22/0.28 | 0.21/0.26 |
No. atoms | ||||||
Protein | 4974 | 4974 | 2492 | 2493 | 2493 | 4985 |
Water | 12 | 99 | 296 | 51 | 16 | 156 |
B-factors | ||||||
Protein | 30.00 | 35.50 | 23.13 | 42.31 | 57.73 | 32.77 |
Water | 26.00 | 35.20 | 34.81 | 45.50 | 56.73 | 37.19 |
R.m.s. deviations | ||||||
Bond lengths (Ã…) | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 |
Bond angles (°) | 1.11 | 1.54 | 0.97 | 0.88 | 1.00 | 1.03 |
