5FJK
Crystal structure of human JMJD2C catalytic domain in complex 6-ethyl- 5-methyl-7-oxo-4,7-dihydropyrazolo(1,5-a)pyrimidine-3-carbonitrile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-13 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 89.900, 91.270, 98.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.774 - 1.660 |
| R-factor | 0.1611 |
| Rwork | 0.159 |
| R-free | 0.19740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xml |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.185 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.770 | 1.700 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.050 | 0.800 |
| Number of reflections | 48173 | |
| <I/σ(I)> | 20 | 2.5 |
| Completeness [%] | 99.6 | 98.8 |
| Redundancy | 6.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.25 | 21% PEG 3350, 5% 1,2 ETHANEDIOL, 0.2 M NANO3, 0.1 M BIS-TRIS PROPANE PH 7.25 |
