6DVR
Crystal structure of human CARM1 with (R)-SKI-72
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 | 2018-04-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97890 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 74.366, 98.579, 207.375 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.560 - 1.540 |
R-factor | 0.1949 |
Rwork | 0.195 |
R-free | 0.21520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ikp |
RMSD bond length | 0.006 |
RMSD bond angle | 1.177 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.570 |
High resolution limit [Å] | 1.540 | 4.180 | 1.540 |
Rmerge | 0.049 | 0.028 | 0.977 |
Rmeas | 0.052 | 0.029 | 1.028 |
Rpim | 0.016 | 0.009 | 0.316 |
Number of reflections | 112857 | 5945 | 5573 |
<I/σ(I)> | 7.3 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 10.7 | 10.5 | 10.4 |
CC(1/2) | 0.999 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 25% PEG 3350, 0.2 M NH4SO4, 0.1 M HEPES pH7.5 |