5RAY
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001469a
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 | 57.860, 93.620, 93.661 |
| Unit cell angles | 90.00, 108.06, 90.00 |
Refinement procedure
| Resolution | 47.470 - 1.630 |
| R-factor | 0.1918 |
| Rwork | 0.190 |
| R-free | 0.22130 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6rbj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.677 |
| 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] | 47.430 | 47.430 | 1.670 |
| High resolution limit [Å] | 1.630 | 7.290 | 1.630 |
| Rmerge | 0.044 | 0.020 | 1.220 |
| Rmeas | 0.053 | 0.023 | 1.450 |
| Rpim | 0.028 | 0.012 | 0.774 |
| Total number of observations | 396605 | 4973 | 29697 |
| Number of reflections | 116492 | ||
| <I/σ(I)> | 14.2 | 62.4 | 1 |
| Completeness [%] | 98.6 | 99.2 | 99 |
| Redundancy | 3.4 | 3.7 | 3.4 |
| CC(1/2) | 0.999 | 0.998 | 0.497 |
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 |
