8SIH
Crystal Structure of PRMT4 with Compound YD1-289
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 86.582, 86.582, 136.026 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.380 - 2.350 |
R-factor | 0.19723 |
Rwork | 0.196 |
R-free | 0.24587 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.441 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
Rmerge | 0.054 | 0.027 | 0.987 |
Rmeas | 0.057 | 0.029 | 1.055 |
Rpim | 0.020 | 0.010 | 0.367 |
Total number of observations | 206006 | ||
Number of reflections | 25134 | 1393 | 1235 |
<I/σ(I)> | 10.3 | ||
Completeness [%] | 99.9 | 99.9 | 100 |
Redundancy | 8.2 | 7.5 | 8.2 |
CC(1/2) | 0.998 | 0.999 | 0.702 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 3.5 M Ammonium chloride, 0.1 M BIS-TRIS propane pH 7.0 |