7VDR
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-03 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.920126 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 117.830, 117.830, 154.930 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.650 - 2.550 |
| R-factor | 0.2206 |
| Rwork | 0.219 |
| R-free | 0.25580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o0g |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.320 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.650 | 29.650 | 2.650 |
| High resolution limit [Å] | 2.550 | 9.190 | 2.550 |
| Rmerge | 0.145 | 0.053 | 1.853 |
| Rmeas | 0.149 | 0.055 | 1.897 |
| Rpim | 0.033 | 0.012 | 0.406 |
| Total number of observations | 855062 | 18349 | 99737 |
| Number of reflections | 41128 | 948 | 4581 |
| <I/σ(I)> | 18.4 | 52.5 | 2.2 |
| Completeness [%] | 99.9 | 97.1 | 100 |
| Redundancy | 20.8 | 19.4 | 21.8 |
| CC(1/2) | 0.999 | 0.999 | 0.714 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5.5 | 291 | 0.1M MES pH 5.5, 0.3M MgCl2, 20% PEG3350 |
