5MKX
1.68A STRUCTURE PCAF BROMODOMAIN WITH 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-15 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | H 3 |
| Unit cell lengths | 99.264, 99.264, 100.378 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.650 - 1.680 |
| R-factor | 0.18319 |
| Rwork | 0.182 |
| R-free | 0.20645 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.042 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.630 | 1.770 |
| High resolution limit [Å] | 1.630 | 1.680 |
| Rmerge | 0.026 | 0.203 |
| Number of reflections | 39507 | |
| <I/σ(I)> | 21.2 | 3.6 |
| Completeness [%] | 94.2 | 83.6 |
| Redundancy | 2.8 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 278 | Morpheus condition 37 |
