5RAL
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with XS039332c
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 | 57.600, 93.690, 93.434 |
| Unit cell angles | 90.00, 108.03, 90.00 |
Refinement procedure
| Resolution | 88.850 - 1.680 |
| R-factor | 0.1904 |
| Rwork | 0.189 |
| R-free | 0.22130 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6rbj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.611 |
| 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] | 88.850 | 88.850 | 1.720 |
| High resolution limit [Å] | 1.680 | 7.510 | 1.680 |
| Rmerge | 0.044 | 0.019 | 1.188 |
| Rmeas | 0.053 | 0.022 | 1.415 |
| Rpim | 0.028 | 0.012 | 0.759 |
| Total number of observations | 362591 | 4484 | 26169 |
| Number of reflections | 106186 | ||
| <I/σ(I)> | 14.6 | 63.7 | 1 |
| Completeness [%] | 99.0 | 99 | 98.6 |
| Redundancy | 3.4 | 3.6 | 3.3 |
| CC(1/2) | 0.999 | 0.999 | 0.545 |
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 |
