Table 1.
Crystallization Conditions, Crystallographic, And Model Statistics of The PccB Mutants
| D422V | D422L | D422N | D422C | D422A | |
|---|---|---|---|---|---|
| Crystallization | 0.1M Tris pH=6.5, 2.0M (NH4)SO4 |
0.1M Tris pH=6.5, 2.0M (NH4)SO4 |
0.1M Bis-Tris pH=6.8, 10% MPD, 0.2M (NH4)OAc |
0.1M Na citrate pH=5.6, 0.2M (NH4) SO4 |
0.1M Bis-Tris pH=6.2, 20% PEG3350, 0.2M (NH4) SO4 |
| Data collection | |||||
| Space Group | P63 | P63 | P21 | P21 | P212121 |
| # monomer in AU | 2 | 2 | 6 | 6 | 6 |
| Cell Dimension a, b, c (Å) α, β, γ (°) |
171.531, 171.531, 75.068, 90, 90, 120 |
168.489, 168.489, 80.304, 90, 90, 120 |
79.668, 220.961, 136.742, 90, 103.08, 90 |
79.572, 220.786, 136.885, 90, 102.84, 90 |
87.060 183.328 228.706 90, 90, 90 |
| Resolution (Å) | 1.75 | 1.9 | 2.38 | 2.95 | 3.45 |
| Mosaicity (deg.) | 0.822 | 0.89 | 0.34 | 0.73 | 1.2 |
| No. of Observations |
1122861 | 858632 | 1234057 | 212259 | 261634 |
| No. of Unique Reflections |
123433 | 96803 | 182019 | 73274 | 46012 |
| Completeness % (last shell) |
97.4 (89.6) |
94.1 (98.1) |
99.0 (95.8) |
86.8 (71.4) |
95.3 (96.5) |
| I/σ(I) (last shell) |
17.32 (2.77) |
23.99 (4.2) |
19.35 (3.75) |
7.25 (2.05) |
11.2 (4.5) |
| Rmerge (last shell) |
0.145 (0.436) |
0.10 (0.517) |
0.10 (0.405) |
0.148 (0.464) |
0.188 (0.497) |
| Redundancy | 9.1 | 8.9 | 6.8 | 2.7 | 5.7 |
| Refinement | |||||
| Resolution (Å) | 1.75 | 2.0 | 2.5 | 3.2 | 3.5 |
| No. Refinement Reflections |
113083 | 66425 | 149431 | 63866 | 43717 |
| No. of Protein Atoms |
7904 | 7904 | 23718 | 23706 | 23700 |
| No. of Waters | 323 | 339 | 0 | 0 | 0 |
| Rfree % | 23.25 | 25.12 | 27.560 | 25.831 | 26.936 |
| Rcrys % | 21.71 | 24.87 | 22.199 | 19.745 | 19.026 |
| Geometry | |||||
| rmsd for Bonds (Å) |
0.005763 | 0.005726 | 0.051 | 0.060 | 0.059 |
| rmsd for Angles (deg°) |
1.26379 | 1.28683 | 3.641 | 4.755 | 3.950 |