2CKE
Human death-associated DRP-1 kinase in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.210, 60.480, 99.280 |
| Unit cell angles | 92.09, 103.39, 94.16 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.206 |
| Rwork | 0.203 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a2a |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.882 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.060 | 0.330 |
| Number of reflections | 30010 | |
| <I/σ(I)> | 10.7 | 2.8 |
| Completeness [%] | 97.5 | 97.1 |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.2 M LI SULFATE, 0.1 M TRIS PH 8.5, 25 % PEG 4000, 15 % GLYCEROL, 10 MM DTT. |
