4YBS
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide (7g)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1159 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.735, 36.238, 65.935 |
Unit cell angles | 90.00, 111.56, 90.00 |
Refinement procedure
Resolution | 61.320 - 1.830 |
R-factor | 0.17 |
Rwork | 0.167 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o34 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.947 |
Data scaling software | SCALA (3.3.21) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.322 | 1.930 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.339 | |
Number of reflections | 17778 | |
<I/σ(I)> | 10 | 2.2 |
Completeness [%] | 99.5 | 99.6 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol |