Table 1 Diffraction data collection and refinement statistics.
Complex | CDK12715–1038/cyclin K11–267 | CDK12715–1052/cyclin K11–267 |
|---|---|---|
PDB accession code | 4UN0 | 4CXA |
Data Collection | ||
Beamline | Diamond Light Source, I24 | Diamond Light Source, I02 |
Wavelength (Å) | 0.9686 | 0.97868 |
Resolutiona (Å) | 57.82–3.15 (3.37–3.15) | 30.53–3.15 (3.37–3.15) |
Spacegroup | P21 | P21 |
Cell dimensions | a =49.6, b =148.8, c =92.2 Å | a =69.8, b = 138.8, c = 71.9 Å |
α = γ = 90.0°, β = 94.2° | α = γ = 90.0°, β = 105.0° | |
No. unique reflectionsa | 22,936 (4145) | 22,908 (4132) |
Completenessa (%) | 99.4 (99.3) | 99.8 (99.9) |
I/σ(I)a | 8.7 (2.0) | 6.4 (1.5) |
Rmergea | 0.19 (0.87) | 0.19 (0.98) |
Redundancya | 4.3 (4.2) | 5.0 (4.9) |
Refinement | ||
ligands | — | AMP-PNP |
No. atoms in refinement | 8190 | 8694 |
R factor (%) | 21.7 | 22.4 |
Rfree (%) | 27.1 | 27.9 |
Average B factor (Å2) | 55 | 73 |
r.m.s. deviation bond lengthsb (Å) | 0.002 | 0.004 |
r.m.s. deviation bond anglesb (°) | 0.58 | 0.87 |
Molprobity | ||
Ramachandran favoured | 94% | 94% |
Ramachandran allowed | 5% | 5% |
