5LHI
Structure of the KDM1A/CoREST complex with the inhibitor N-[3-(ethoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-26 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1,000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 120.030, 180.370, 235.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.040 - 3.400 |
| R-factor | 0.1967 |
| Rwork | 0.195 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v1d |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.923 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 72.040 |
| High resolution limit [Å] | 3.400 |
| Rmerge | 0.118 |
| Number of reflections | 35457 |
| <I/σ(I)> | 11.2 |
| Completeness [%] | 100.0 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1.1-1.2 M Na/K tartrate 0.1 M ADA pH 6.0 |
