7E0G
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418, FAD-adduct
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 184.550, 184.550, 108.571 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.250 |
R-factor | 0.1957 |
Rwork | 0.194 |
R-free | 0.23820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z5u |
RMSD bond length | 0.006 |
RMSD bond angle | 1.129 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (refmac_5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 159.820 | 50.000 | 2.290 |
High resolution limit [Å] | 2.250 | 6.100 | 2.250 |
Rmerge | 0.080 | 0.030 | |
Rmeas | 0.079 | 0.031 | |
Rpim | 0.025 | 0.008 | 0.525 |
Number of reflections | 51851 | 2849 | 2500 |
<I/σ(I)> | 9.2 | ||
Completeness [%] | 99.7 | 99.7 | 99.1 |
Redundancy | 13.4 | 13.6 | 11.6 |
CC(1/2) | 0.999 | 0.654 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M imidazole/HCl (pH 7.0), 14% PEG 3350, 10% 2-methyl-2,4-pentanediol |