5RAA
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM009990a
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 | 57.290, 93.610, 93.420 |
| Unit cell angles | 90.00, 107.69, 90.00 |
Refinement procedure
| Resolution | 89.000 - 1.570 |
| R-factor | 0.1844 |
| Rwork | 0.183 |
| R-free | 0.21040 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6rbj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.710 |
| 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] | 89.000 | 89.000 | 1.610 |
| High resolution limit [Å] | 1.570 | 7.020 | 1.570 |
| Rmerge | 0.048 | 0.023 | 1.208 |
| Rmeas | 0.057 | 0.028 | 1.434 |
| Rpim | 0.031 | 0.015 | 0.763 |
| Total number of observations | 442845 | 5336 | 33356 |
| Number of reflections | 129720 | ||
| <I/σ(I)> | 12.6 | 52.4 | 1.1 |
| Completeness [%] | 99.2 | 99 | 99.7 |
| Redundancy | 3.4 | 3.5 | 3.5 |
| CC(1/2) | 0.999 | 0.998 | 0.535 |
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 |
