Table II.
Crystallographic statistics for the four deposited 1m4w-derived structures
| 1m4w_6 | 1m4w_6w20 | 1m4w_6v48 | 1m4w_6w20v48 | |
|---|---|---|---|---|
| Data collection | ||||
| Wavelength, Å | 1.00 | 1.5418 | 1.5418 | 1.5418 |
| Resolution (outer shell), Å | 55.30–1.28 (1.34–1.28) | 38.48–1.69 (1.79–1.69) | 49.01–1.70 (1.79–1.70) | 55.32–1.63 (1.73–1.63) |
| Rmerge,a % | 7.6 (53.3) | 8.6 (40.2) | 8.9 (29.6) | 4.6 (21.1) |
| Mean I/sigma(I) | 54.89 (3.52) | 23.22 (3.63) | 28.48 (3.34) | 26.44 (3.01) |
| Completeness, % | 99.8 (96.4) | 99.7 (97.9) | 100.0 (100.0) | 88.5 (48.1) |
| Redundancy | 9.70 (5.5) | 18.78 (6.77) | 21.80 (12.06) | 7.53 (1.22) |
| Unique observations | 62177 (4534) | 28769 (4289) | 28204 (3957) | 28568 (2549) |
| Refinement | ||||
| Rcryst/Rfree, %b | 18.07/19.37 | 17.62/21.62 | 16.40/20.38 | 18.42/22.63 |
| No. of protein atoms | 1169 | 1077 | 1155 | 1157 |
| No. of solvent waters | 386 | 438 | 404 | 366 |
| Bond length RMSD, Å | 0.030 | 0.026 | 0.028 | 0.013 |
| Bond angle RMSD, ° | 2.235 | 1.952 | 1.954 | 1.274 |
| Avg. protein B, Å2 | 12.476 | 17.679 | 15.363 | 19.194 |
| Ramachandran plot, %c | ||||
| Most favored | 88.3 | 89.5 | 89.0 | 86.3 |
| Allowed | 10.5 | 9.9 | 9.7 | 12.4 |
| Generously allowed | 1.2 | 0.6 | 1.3 | 1.2 |
| Disallowed | 0.0 | 0.0 | 0.0 | 0.0 |
Outer resolution bin statistics are given in parentheses.
aRmerge = Shkl(Si|Ihkl,i − <Ihkl>))/Shkl,i<Ihkli>, where Ihkl,i, is the intensity of an individual measurement of the reflection with Miller indices h, k and l, and <Ihkl> is the mean intensity of that reflection.
bRcryst = S||Fobs, hkl| − |Fcalc, hkl||/|Fobs, hkl|, where |Fobs, hkl| and |Fcalc, hkl| are the observed and calculated structure factor amplitudes. Rfree is equivalent to Rcryst but calculated with reflections (5%) omitted from the refinement process.
cCalculated with the program PROCHECK.