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 |