Crystal | IL-4 WT | IL-4T13D | IL-4F82D | IL-4 T13DF82D | IL-4R85A | IL-4 T13DR85A | IL-4 F82DR85A |
---|---|---|---|---|---|---|---|
Spacegroup | P41212 | ||||||
Beamline | ESRF ID14 | SLS XS06 | SLS XS06 | ESRF ID14 | Rigaku MicroMax007, VariMaxCu HighRes | ||
Wavelength | 0.9500 | 0.9178 | 0.9183 | 0.9500 | 1.5418 | 1.5418 | 1.5418 |
Unit Cell (Ã…) | a = b = 90.54, c = 46.07 | a = b = 90.53, c = 45.91 | a = b = 90.97, c = 46.08 | a = b = 91.03, c = 46.02 | a = b = 91.13, c = 45.82 | a = b = 91.33, c = 45.78 | a = b = 91.20, c = 46.00 |
Resolution (Å) | 20.5 – 1.8 (1.9 – 1.8) | 10.6 – 1.65(1.74 – 1.65) | 28.7 – 1.6 (1.69 – 1.6) | 20.5 – 1.8 (1.9 – 1.8) | 32.3 – 2.35 (2.43 – 2.35) | 45.7 – 2.1 (2.18 – 2.1) | 26.4 – 2.0 (2.07 – 2.0) |
Total Reflections | 94871 (18941) | 152584 (40910) | 375353 (34716) | 104168 (24465) | 36412 (3611) | 60477 (6012) | 70758 (6893) |
Completeness (%) | 99.0 (98.5) | 97.1 (98.1) | 100.0 (99.9) | 99.6 (100.0) | 98.9 (99.6) | 99.4 (98.7) | 98.9 (98.2) |
Multiplicity | 5.2 (3.6) | 6.7 (6.4) | 14.4 (9.3) | 5.7 (4.7) | 4.35 (4.32) | 5.16 (5.15) | 5.26 (5.29) |
Rmerge | 0.058 (0.230) | 0.092 (0.172) | 0.080 (0.291) | 0.071 (0.211) | 0.056 (0.265) | 0.055 (0.258) | 0.050 (0.278) |
Average I/sigma | 18.6 (4.6) | 17.6 (5.2) | 26.6 (5.7) | 15.2 (4.9) | 17.3 (4.6) | 18.2 (5.6) | 19.2 (5.2) |
Refinement | Â | Â | Â | Â | Â | Â | Â |
Resolution (outer shell) (Å) | 14.9 – 1.8 (1.85 – 1.8) | 10.0 – 1.65 (1.69 – 1.65) | 20.0 – 1.7 (1.74 – 1.7) | 14.8 – 1.8 (1.85 – 1.8) | 20.0 – 2.50 (2.56 – 2.50) | 20.0 – 2.1 (2.15 – 2.1) | 20.0 – 2.0 (2.05 – 2.0) |
# of reflections/in test set | 17121/926 (1225/74) | 21555/1142 (1533/84) | 20694/1100 (1492/77) | 17414/942 (1248/70) | 6654/334 (472/28) | 11162/555 (818/34) | 12767/664 (893/55) |
R factor | 0.211 (0.219) | 0.221 (0.253) | 0.226 (0.246) | 0.218 (0.263) | 0.214 (0.224) | 0.214 (0.250) | 0.205 (0.253) |
Free R factor | 0.244 (0.272) | 0.247 (0.319) | 0.248 (0.281) | 0.241 (0.303) | 0.264 (0.316) | 0.249 (0.337) | 0.258 (0.308) |
Average B factor (Ã…2) | 27.2 | 21.1 | 34.8 | 26.4 | 34.5 | 22.1 | 28.8 |
R.m.s.d. Bonds | 0.017 | 0.018 | 0.011 | 0.011 | 0.012 | 0.016 | 0.014 |
R.m.s.d. Angles | 1.597 | 1.695 | 1.322 | 1.194 | 1.400 | 1.661 | 1.379 |
Ramachandran | Â | Â | Â | Â | Â | Â | Â |
Most favored | 89.4 | 91.9 | 89.4 | 91.9 | 91.1 | 92.7 | 92.7 |
Additionally favored | 9.8 | 8.1 | 10.6 | 7.3 | 8.9 | 7.3 | 7.3 |
Generously or disallowed | 0.8 (1, Thr22) | - | - | 0.8 (1, Lys37) | - | - | - |