5FYT
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment (5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid (N09996a)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-15 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 141.810, 141.810, 151.830 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 70.905 - 1.870 |
| R-factor | 0.1897 |
| Rwork | 0.188 |
| R-free | 0.22160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a3p |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.091 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | DIMPLE |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.480 | 1.920 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.120 | 1.500 |
| Number of reflections | 74577 | |
| <I/σ(I)> | 19.6 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 19.8 | 20.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M HEPES PH 7.5 -- 0.8M POTASSIUM PHOSPHATE DIBASIC -- 0.8M SODIUM PHOSPHATE MONOBASIC |
