5YJB
LSD1-CoREST in complex with 4-[5-(piperidin-4-ylmethoxy)-2-(p-tolyl)pyridin-3-yl]benzonitrile
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 | 2017-04-21 |
Detector | RAYONIX MX225-HS |
Wavelength(s) | 1.000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 121.144, 179.624, 234.953 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.820 - 2.960 |
R-factor | 0.189 |
Rwork | 0.189 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5h6q |
RMSD bond length | 0.008 |
RMSD bond angle | 0.945 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.160 | 3.050 |
High resolution limit [Å] | 2.960 | 2.960 |
Rmerge | 0.114 | 1.420 |
Rmeas | 0.123 | 1.520 |
Rpim | 0.044 | 0.548 |
Number of reflections | 53652 | 4572 |
<I/σ(I)> | 16.2 | 1.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.5 | 7.6 |
CC(1/2) | 0.999 | 0.747 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M N-(2-ACETAMIDO)IMINODIACETIC ACID (PH 5.5), 1.23M POTASSIUM SODIUM TARTRATE TETRAHYDRATE |