5LY1
JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 273 |
| Detector technology | PIXEL |
| Collection date | 2011-07-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91730 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.265, 101.482, 140.330 |
| Unit cell angles | 90.00, 99.56, 90.00 |
Refinement procedure
| Resolution | 49.340 - 2.500 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ox0 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.716 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.340 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.071 | 0.577 |
| Number of reflections | 53856 | |
| <I/σ(I)> | 11.8 | 2.1 |
| Completeness [%] | 98.3 | 98.3 |
| Redundancy | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 0.1 M propionate-cacodylate-bistris propane pH 9.0 and 25 % w/v polyethylene glycol 1500 |
