5MLJ
Bromodomain of Human GCN5 with 4-bromo-2-methyl-5-(((3R,5R)-1-methyl-5-phenylpiperidin-3-yl)amino)pyridazin-3(2H)-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97626 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.630, 74.000, 76.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.840 - 1.800 |
R-factor | 0.16889 |
Rwork | 0.167 |
R-free | 0.21101 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.978 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.840 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.043 | 0.069 |
Number of reflections | 22545 | |
<I/σ(I)> | 18.2 | 10.5 |
Completeness [%] | 92.8 | 73 |
Redundancy | 2.6 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Ammonium acetate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350 |