4ZQL
Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.414, 36.661, 128.989 |
| Unit cell angles | 90.00, 109.87, 90.00 |
Refinement procedure
| Resolution | 27.840 - 1.790 |
| R-factor | 0.16083 |
| Rwork | 0.159 |
| R-free | 0.19904 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o33 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.658 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.840 | 1.890 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.055 | 0.547 |
| Number of reflections | 37097 | |
| <I/σ(I)> | 17.3 | 3.2 |
| Completeness [%] | 99.1 | 95.7 |
| Redundancy | 6.5 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 0.1M HEPES pH 7.5, 2M ammonium sulfate, 2%(v/v) PEG 400 |
