6S79
Crystal structure of CARM1 in complex with inhibitor AA183
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-08 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 75.479, 99.196, 208.439 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.852 - 2.100 |
R-factor | 0.2004 |
Rwork | 0.199 |
R-free | 0.23110 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 104.230 | 104.230 | 2.140 |
High resolution limit [Å] | 2.100 | 11.500 | 2.100 |
Rmerge | 0.186 | 0.056 | 2.516 |
Rmeas | 0.202 | 0.062 | 2.725 |
Rpim | 0.078 | 0.026 | 1.040 |
Number of reflections | 92162 | 672 | 4483 |
<I/σ(I)> | 7.4 | ||
Completeness [%] | 100.0 | 99.5 | 99.9 |
Redundancy | 6.6 | 5.4 | 6.8 |
CC(1/2) | 0.996 | 0.997 | 0.287 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M Bis-tris propane, 0.2 M sodium formate, 20 % (w/v) PEG 3350 |