5MKY
BROMODOMAIN OF HUMAN BRD9 WITH 4-chloro-2-methyl-5-((2-methyl-1,2,3,4-tetrahydroisoquinolin-5-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 | 2012-11-11 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 |
| Unit cell lengths | 24.551, 34.076, 39.750 |
| Unit cell angles | 68.21, 76.01, 73.37 |
Refinement procedure
| Resolution | 36.480 - 1.670 |
| R-factor | 0.17153 |
| Rwork | 0.169 |
| R-free | 0.22047 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.114 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.480 | 1.730 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.035 | 0.119 |
| Number of reflections | 11611 | |
| <I/σ(I)> | 18.6 | 4.1 |
| Completeness [%] | 88.3 | 85.3 |
| Redundancy | 2.19 | 1.83 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Morpheus condition 54 - 0.1M morpheus buffer 2 pH 7.5, 30% morpheus_EDO_P8K, 0.1M Morpheus ethylene glycols |
