5LBQ
LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor
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 | 2015-02-20 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 120.130, 179.590, 234.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.850 - 3.300 |
| R-factor | 0.23169 |
| Rwork | 0.231 |
| R-free | 0.24989 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v1d |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.676 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.850 | 3.450 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.191 | 1.484 |
| Number of reflections | 38477 | |
| <I/σ(I)> | 5.7 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.3 | 5.6 |
| CC(1/2) | 0.943 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 100 mM ADA pH 6.5 1.2 M Na/Ka Tartrate |
