5RAM
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with XS038544d
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 | 57.030, 93.500, 92.920 |
| Unit cell angles | 90.00, 108.05, 90.00 |
Refinement procedure
| Resolution | 88.350 - 2.050 |
| R-factor | 0.1779 |
| Rwork | 0.175 |
| R-free | 0.23550 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6rbj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.654 |
| 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] | 88.350 | 88.350 | 2.100 |
| High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
| Rmerge | 0.074 | 0.020 | 0.711 |
| Rmeas | 0.090 | 0.025 | 0.883 |
| Rpim | 0.050 | 0.014 | 0.514 |
| Total number of observations | 143703 | 2362 | 8142 |
| Number of reflections | 51588 | ||
| <I/σ(I)> | 11.3 | 50.7 | 1.3 |
| Completeness [%] | 88.9 | 98.2 | 76.6 |
| Redundancy | 2.8 | 3.5 | 2.5 |
| CC(1/2) | 0.997 | 0.998 | 0.524 |
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 |
