Table 2.
S127A | I96S | I96T | L123N | L123S | V155D | V155S | |
---|---|---|---|---|---|---|---|
Data collection | |||||||
Space group | P21 | P21 | P21 | P21 | P21 | P21 | P21 |
No. of molecules | 2 | 2 | 2 | 2 | 2 | 2 | 2 |
in asym. unit | |||||||
Cell dimensions | |||||||
a (Å) | 59.89 | 59.93 | 59.97 | 59.92 | 59.85 | 59.74 | 59.71 |
b (Å) | 64.16 | 64.34 | 63.84 | 63.98 | 63.93 | 64.33 | 64.28 |
c (Å) | 61.57 | 61.58 | 61.58 | 61.75 | 61.74 | 61.55 | 61.33 |
β (°) | 115.60 | 115.86 | 115.54 | 115.56 | 115.57 | 115.53 | 115.54 |
Resolution (Å) | 1.32 | 1.53 | 1.42 | 1.42 | 1.31 | 1.42 | 1.32 |
No. of unique | 98290 | 63155 | 76659 | 78628 | 95704 | 77594 | 97409 |
reflections | |||||||
Rmerge | 0.071 | 0.087 | 0.063 | 0.079 | 0.089 | 0.058 | 0.091 |
Completeness (%) | 99.8 | 99.4 | 97.7 | 99.3 | 95.5 | 97.9 | 99.26 |
Refinement | |||||||
Resolution (Å) | 25.0-1.32 | 25.0-1.53 | 25.0-1.42 | 25.0-1.42 | 25.0-1.31 | 25.0-1.42 | 25-1.32 |
Rcryst | 0.172 | 0.161 | 0.164 | 0.180 | 0.165 | 0.174 | 0.164 |
Rfree | 0.193 | 0.186 | 0.185 | 0.205 | 0.177 | 0.202 | 0.177 |
No. atoms | |||||||
Protein | 3422 | 3388 | 3364 | 3388 | 3414 | 3404 | 3386 |
Waters | 424 | 358 | 393 | 432 | 468 | 387 | 465 |
Bound ligand | BMP | BMP | BMP | BMP | BMP | BMP | BMP |
Ligand atoms | 44 | 44 | 44 | 44 | 44 | 44 | 44 |
R.m.s deviations | |||||||
Bond lengths (Å) | 0.006 | 0.006 | 0.006 | 0.006 | 0.006 | 0.006 | 0.006 |
Bond angles (°) | 1.05 | 1.08 | 1.09 | 1.10 | 1.11 | 1.07 | 1.11 |
PDB entry | 3SIZ | 3NQC | 3NQD | 3NQE | 3NQF | 3NQG | 3NQM |