Table 1. Data Collection and Refinement Statistics for apo- TbPRMT6 and TbPRMT6-KI-SAH.
| Data collection statistics | TbPRMT6-KI-SAH | apo- TbPRMT6 |
| Space Group | C2221 | P21 |
| Unit Cell Parameters | ||
| a, b, c (Å) | 1014,1085,1379 | 739, 1433, 756 |
| α, β, γ (°) | 90, 90, 90 | 90, 967, 90 |
| Wavelength(Å) | 154 | 09792 |
| A Resolution limits(Å) | 5000-235(239-235) | 5000-220(224-220) |
| No of unique reflections | 31830 | 77167 |
| Completeness (%) | 999(999) | 981(973) |
| Redundancy | 144(142) | 38(37) |
| BRmerge (%) | 109(434) | 0075(0578) |
| Mean I/σ(I) | 289(645) | 168(30) |
| Refinement Statistics | ||
| Resolution limits(Å ) | 50-235 | 4400-220 |
| CRwork(%)/DRfree(%) | 2044/2493 | 2020/2487 |
| Rmsd for bonds (Å) | 0009 | 0008 |
| Rmsd for angles (°) | 1198 | 1139 |
| B factor (Å2) | ||
| Protein | 285 | 377 |
| SAH | 242 | |
| Water | 250 | 323 |
| No of non-hydrogen protein atoms | 5258 | 10380 |
| No of water oxygen atoms | 57 | 162 |
| Ramachandran plot (%) | ||
| most favored regions | 922 | 919 |
| additional allowed regions | 74 | 75 |
| generously allowed regions | 03 | 07 |
| PDB entry | 4LWP | 4LWO |
A
Values in parentheses are for the highest resolution shell.
B
Rmerge = Σh Σl |Ihl- <Ih>|/ Σh Σl <Ih>, where Ihl is the lth observation of reflection h and <Ih> is the weighted average intensity for all observations l of reflection h.
C
Rwork factor = Σh||Fobs(h) |- |Fcal(h) ||/Σh|Fobs(h) |, where Fobs(h) and Fcal(h) are the observed and calculated structure factors for reflection h respectively.
D
Rfree factor was calculated same as Rwork factor using the 5% the reflections which were selected randomly and omitted from refinement.