6CKC
Structure of PRMT5:MEP50 in complex with LLY-283, a potent and selective inhibitor of PRMT5, with antitumor activity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-20 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9798 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 102.785, 139.077, 178.961 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.720 - 2.800 |
R-factor | 0.18 |
Rwork | 0.178 |
R-free | 0.21400 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.000 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 31922 | |
<I/σ(I)> | 13.3 | |
Completeness [%] | 99.9 | |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 281 | 16% PEG 3350, 200mM Magnesium Chloride, 100mM Bis-Tris pH 5.5 |