3RVH
Crystal Structure of JMJD2A Complexed with Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 100.820, 149.340, 57.154 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.385 - 2.251 |
| R-factor | 0.1781 |
| Rwork | 0.176 |
| R-free | 0.22350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ox0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.068 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 6.100 | 2.250 |
| Rmerge | 0.081 | 0.034 | 0.621 |
| Number of reflections | 41678 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 99.7 | 98.2 | 99 |
| Redundancy | 4.7 | 4.5 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.1M CITRATE, 4mM NiCl2, 20% PEG 3350, 2:1 Protein:Well, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
