6YQS
BRD9 with methylpiperazinyl-benzyl-amino-dimethylpyridazinone
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-12 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 1 |
| Unit cell lengths | 24.589, 33.867, 39.523 |
| Unit cell angles | 70.26, 76.31, 72.90 |
Refinement procedure
| Resolution | 28.015 - 1.683 |
| Rwork | 0.156 |
| R-free | 0.20070 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.221 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.770 | 1.770 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.017 | 0.032 |
| Number of reflections | 11735 | 1602 |
| <I/σ(I)> | 40.2 | 20.6 |
| Completeness [%] | 91.3 | 84.3 |
| Redundancy | 2.2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.03M NaF, 0.03M NaI, 0.03M NaBr, 0.10M morpheus buffer 3 (1M pH 8.5), 37.5% morpheus MPD_P1K_3350 |
