6W4K
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17B1 |
| Synchrotron site | SSRF |
| Beamline | BL17B1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2017-01-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 121.655, 178.510, 236.049 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.270 - 2.930 |
| R-factor | 0.1936 |
| Rwork | 0.191 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zmu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.941 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.030 |
| High resolution limit [Å] | 2.930 | 6.310 | 2.930 |
| Rmerge | 0.077 | 0.033 | 0.902 |
| Rmeas | 0.083 | 0.036 | 0.980 |
| Rpim | 0.032 | 0.014 | 0.381 |
| Total number of observations | 367961 | ||
| Number of reflections | 55358 | 5776 | 5471 |
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 100.0 | 99.8 | 99.9 |
| Redundancy | 6.6 | 6.5 | 6.5 |
| CC(1/2) | 0.999 | 0.830 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1.3M Na Tartrate |
