5RB4
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001677a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-30 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.870, 93.660, 93.692 |
| Unit cell angles | 90.00, 107.88, 90.00 |
Refinement procedure
| Resolution | 64.660 - 1.550 |
| R-factor | 0.1866 |
| Rwork | 0.185 |
| R-free | 0.20920 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6rbj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.751 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 93.660 | 93.660 | 1.590 |
| High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
| Rmerge | 0.040 | 0.021 | 1.086 |
| Rmeas | 0.048 | 0.025 | 1.276 |
| Rpim | 0.025 | 0.013 | 0.666 |
| Total number of observations | 466139 | 5738 | 35089 |
| Number of reflections | 134208 | ||
| <I/σ(I)> | 15.1 | 62.8 | 1.2 |
| Completeness [%] | 97.7 | 98.6 | 96.9 |
| Redundancy | 3.5 | 3.6 | 3.6 |
| CC(1/2) | 0.999 | 0.998 | 0.553 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.1M bis-tris pH 5.5 21% PEG3350 0.3M magnesium chloride |
