5ANQ
inhibitors of JumonjiC domain-containing histone demethylases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 100.694, 149.271, 57.527 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.760 - 2.000 |
| R-factor | 0.19151 |
| Rwork | 0.189 |
| R-free | 0.23242 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ox0 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.471 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.760 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.040 | 1.150 |
| Number of reflections | 59001 | |
| <I/σ(I)> | 18.3 | 1.2 |
| Completeness [%] | 99.0 | 94.8 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.233 M LITHIUM SULFATE, 24% PEG 3350, 0.1 M HEPES PH 7.5 |
