5RAU
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with DA000165b
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 | 57.680, 93.800, 93.220 |
| Unit cell angles | 90.00, 107.70, 90.00 |
Refinement procedure
| Resolution | 55.010 - 1.730 |
| R-factor | 0.1786 |
| Rwork | 0.177 |
| R-free | 0.20860 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6rbj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.702 |
| 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] | 54.950 | 54.950 | 1.770 |
| High resolution limit [Å] | 1.730 | 7.740 | 1.730 |
| Rmerge | 0.059 | 0.025 | 0.941 |
| Rmeas | 0.070 | 0.030 | 1.142 |
| Rpim | 0.037 | 0.016 | 0.637 |
| Total number of observations | 334925 | 4108 | 21915 |
| Number of reflections | 97543 | ||
| <I/σ(I)> | 13 | 50.7 | 1.2 |
| Completeness [%] | 99.1 | 99.2 | 97.8 |
| Redundancy | 3.4 | 3.6 | 3.1 |
| CC(1/2) | 0.998 | 0.999 | 0.523 |
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 |
