4YAX
Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g)
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 | 2013-06-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1159 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.040, 37.110, 128.750 |
| Unit cell angles | 90.00, 110.41, 90.00 |
Refinement procedure
| Resolution | 120.670 - 2.250 |
| R-factor | 0.173 |
| Rwork | 0.170 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o34 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.450 |
| 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] | 120.670 | 2.320 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.116 | 0.477 |
| Number of reflections | 18553 | |
| <I/σ(I)> | 8 | 2.6 |
| Completeness [%] | 95.8 | 90 |
| Redundancy | 4.1 | 4 |
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 |
