7VQT
Crystal structure of LSD1 in complex with compound 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-02-16 |
Detector | RAYONIX MX225-HS |
Wavelength(s) | 1.000 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 185.256, 185.256, 106.881 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.830 - 2.910 |
R-factor | 0.2114 |
Rwork | 0.209 |
R-free | 0.25820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kgp |
RMSD bond length | 0.010 |
RMSD bond angle | 1.336 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.830 | 3.090 |
High resolution limit [Å] | 2.910 | 2.910 |
Rmeas | 0.125 | 1.972 |
Rpim | 0.029 | 0.450 |
Number of reflections | 24188 | 3846 |
<I/σ(I)> | 20.5 | 2.1 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 18.4 | 18.7 |
CC(1/2) | 0.999 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M MES (pH 6.2-6.3), 0.2M diammonium tartrate, 0.0005M TCEP, 10-12% PEG 3350 |