5RAE
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001558a
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 | 57.270, 93.430, 92.860 |
| Unit cell angles | 90.00, 107.55, 90.00 |
Refinement procedure
| Resolution | 54.430 - 1.880 |
| R-factor | 0.1823 |
| Rwork | 0.180 |
| R-free | 0.22210 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6rbj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.627 |
| 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] | 54.380 | 54.380 | 1.930 |
| High resolution limit [Å] | 1.880 | 8.410 | 1.880 |
| Rmerge | 0.087 | 0.027 | 1.239 |
| Rmeas | 0.103 | 0.032 | 1.457 |
| Rpim | 0.055 | 0.017 | 0.760 |
| Total number of observations | 259242 | 3166 | 19472 |
| Number of reflections | 74642 | ||
| <I/σ(I)> | 9.2 | 39.8 | 1 |
| Completeness [%] | 98.6 | 99.3 | 98.4 |
| Redundancy | 3.5 | 3.6 | 3.6 |
| CC(1/2) | 0.997 | 0.998 | 0.512 |
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 |
