5FP3
Cell penetrant inhibitors of the JMJD2 (KDM4) and JARID1 (KDM5) families of histone lysine demethylases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF |
| Synchrotron site | ESRF |
| Temperature [K] | 100 |
| Collection date | 2010-09-09 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.199, 65.552, 77.301 |
| Unit cell angles | 85.59, 67.65, 68.39 |
Refinement procedure
| Resolution | 71.300 - 2.050 |
| R-factor | 0.20622 |
| Rwork | 0.205 |
| R-free | 0.24322 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.818 |
| Data reduction software | HKL |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.070 | 0.320 |
| Number of reflections | 61615 | |
| <I/σ(I)> | 11.4 | 2.2 |
| Completeness [%] | 96.0 | 90.3 |
| Redundancy | 2.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.1M TRIS HCL, BICINE PH 8.5, 37.5% MPD, PEG1K, PEG3350, 0.03M MGCL2, 0.03M CACL2 |
