6TUY
Human LSD1/CoREST bound to the quinazoline inhibitor MC4106
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 | 2017-01-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000030 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 121.578, 176.862, 233.495 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.000 - 2.600 |
| R-factor | 0.2042 |
| Rwork | 0.204 |
| R-free | 0.22290 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2v1d |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.410 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 150.000 | 48.720 | 2.650 |
| High resolution limit [Å] | 2.600 | 13.000 | 2.600 |
| Rmerge | 0.101 | 0.015 | 3.065 |
| Rmeas | 0.114 | 0.017 | 3.456 |
| Rpim | 0.052 | 0.007 | 1.560 |
| Total number of observations | 2975 | 20394 | |
| Number of reflections | 77081 | 660 | 4495 |
| <I/σ(I)> | 14.6 | 80.4 | 0.6 |
| Completeness [%] | 99.7 | 95.8 | 99.4 |
| Redundancy | 4.5 | 4.5 | 4.5 |
| CC(1/2) | 0.998 | 1.000 | 0.312 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 20 degrees C in 100 mM N-(2- acetamido)iminodiacetic acid (pH 6.5) and 1.2 M Na-K tartrate |
