5ML0
Bromodomain of Mouse PCAF with (R)-4-chloro-2-methyl-5-((1-methylpiperidin-3-yl)amino)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 | 2014-07-22 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | H 3 |
| Unit cell lengths | 93.481, 93.481, 32.783 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.390 - 1.640 |
| R-factor | 0.18064 |
| Rwork | 0.179 |
| R-free | 0.22181 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.012 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.390 | 1.730 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.017 | 0.039 |
| Number of reflections | 12718 | |
| <I/σ(I)> | 50.7 | 20.8 |
| Completeness [%] | 97.0 | 84.5 |
| Redundancy | 3.5 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% P550MME P20K, 0.1M Morpheus buffer 3 pH8.5, 10% morpheus amino acids |
