4ASK
CRYSTAL STRUCTURE OF JMJD3 WITH GSK-J1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-29 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 61.359, 65.554, 77.392 |
Unit cell angles | 85.98, 67.69, 68.42 |
Refinement procedure
Resolution | 71.370 - 1.860 |
R-factor | 0.16646 |
Rwork | 0.165 |
R-free | 0.20882 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xue |
RMSD bond length | 0.006 |
RMSD bond angle | 1.083 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.890 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.070 | 0.360 |
Number of reflections | 83457 | |
<I/σ(I)> | 12.5 | 1.9 |
Completeness [%] | 96.3 | 93.4 |
Redundancy | 1.9 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 0.1M TRIS HCL, BICINE PH 8.5, 37.5% MPD, PEG1K, PEG3350, 0.03M MGCL2, 0.03M CACL2 |