4YAT
Crystal structure of TRIM24 PHD-bromodomain complexed with N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-4-methoxybenzene-1-sulfonamide (5b)
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 | 2013-04-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1159 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.990, 49.236, 65.770 |
| Unit cell angles | 107.78, 90.00, 112.06 |
Refinement procedure
| Resolution | 62.100 - 2.180 |
| R-factor | 0.115 |
| Rwork | 0.112 |
| R-free | 0.16500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o34 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.702 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.100 | 2.250 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.111 | 0.373 |
| Number of reflections | 21176 | |
| <I/σ(I)> | 3.7 | 2.2 |
| Completeness [%] | 91.9 | 92.8 |
| Redundancy | 2.1 | 2.1 |
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 |
