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Crystal Structure of the PIM2 Kinase in Complex with a Ruthenium Half-Sandwich Inhibitor - Bullock et al.
Table 1: Crystallographic data and refinement statistics
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Data collection |
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Space group |
H3 |
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Cell dimensions (Å) |
a = 154.770, b = 154.770, c = 67.909 |
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Resolution (Å) |
2.8 |
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Unique reflections |
16017 |
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Completeness (%) ** |
99.69 (95.2) |
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Rmerge (%) |
4.9 |
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I/σ ** |
21.0 (2.1) |
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Refinement |
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Rwork (Rfree*) (%) |
24.4/28.9 |
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Rmsd bond length (Å) |
0.012 |
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Rmsd bond angle (°) |
1.265 |
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Average B-factor (Å2) |
35.2 |
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Protein atoms |
3687 |
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Other |
95 |
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Ramachandran |
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allowed (%) |
91.1 |
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generously allowed (%) |
8.9 |
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dissallowed (%) |
0 |
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*using randomly selected 5% of data |
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**values in last shell shown in brackets |
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