5IVV
Linked KDM5A Jmj Domain Bound to the Inhibitor N12 [3-((1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino)isonicotinic acid]
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.248, 62.279, 46.592 |
| Unit cell angles | 90.00, 92.46, 90.00 |
Refinement procedure
| Resolution | 32.879 - 1.848 |
| R-factor | 0.1709 |
| Rwork | 0.169 |
| R-free | 0.20420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e6h |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.655 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.879 | 1.920 |
| High resolution limit [Å] | 1.848 | 1.850 |
| Rmerge | 0.129 | |
| Number of reflections | 28515 | |
| <I/σ(I)> | 15.6 | 1.8 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.1 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 1.2-1.35 M (NH4)2SO4, 0.1 M Tris-HCl (pH 8.6-9.2) 0-20% glycerol 25 mM (Na/K) dibasic/monobasic phosphate |
