5RB0
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM010020a
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 | 57.520, 93.920, 92.910 |
| Unit cell angles | 90.00, 107.88, 90.00 |
Refinement procedure
| Resolution | 54.800 - 1.950 |
| R-factor | 0.2003 |
| Rwork | 0.198 |
| R-free | 0.24490 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6rbj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.570 |
| 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] | 54.740 | 54.740 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.113 | 0.022 | 5.297 |
| Rmeas | 0.135 | 0.027 | 6.316 |
| Rpim | 0.072 | 0.014 | 3.397 |
| Total number of observations | 218901 | 2840 | 8519 |
| Number of reflections | 64970 | ||
| <I/σ(I)> | 9.1 | 44.3 | 0.2 |
| Completeness [%] | 94.8 | 98.7 | 50.5 |
| Redundancy | 3.4 | 3.5 | 3.3 |
| CC(1/2) | 0.996 | 0.999 |
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 |
