5RAW
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM009970a
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 | 57.740, 93.810, 93.340 |
| Unit cell angles | 90.00, 107.83, 90.00 |
Refinement procedure
| Resolution | 64.590 - 1.550 |
| R-factor | 0.1864 |
| Rwork | 0.185 |
| R-free | 0.21000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6rbj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.757 |
| 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] | 64.510 | 64.510 | 1.590 |
| High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
| Rmerge | 0.035 | 0.016 | 1.186 |
| Rmeas | 0.042 | 0.019 | 1.406 |
| Rpim | 0.022 | 0.010 | 0.745 |
| Total number of observations | 464723 | 5732 | 34896 |
| Number of reflections | 135768 | ||
| <I/σ(I)> | 17.5 | 81.5 | 1.1 |
| Completeness [%] | 99.1 | 98.9 | 99.4 |
| Redundancy | 3.4 | 3.6 | 3.5 |
| CC(1/2) | 0.999 | 0.996 | 0.515 |
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 |
