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. |