5PHN
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09522a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97630 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 71.657, 71.657, 150.715 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.490 - 1.290 |
| R-factor | 0.1357 |
| Rwork | 0.134 |
| R-free | 0.16710 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4d6r |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.082 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.27) |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.9_1682) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.490 | 29.490 | 1.310 |
| High resolution limit [Å] | 1.290 | 7.070 | 1.290 |
| Rmerge | 0.090 | 0.060 | 0.829 |
| Rmeas | 0.094 | 0.063 | 0.918 |
| Rpim | 0.027 | 0.018 | 0.383 |
| Total number of observations | 1178093 | 8754 | 25720 |
| Number of reflections | 99023 | ||
| <I/σ(I)> | 16.6 | 48.3 | 1.9 |
| Completeness [%] | 99.8 | 98.7 | 96.5 |
| Redundancy | 11.9 | 12 | 5.5 |
| CC(1/2) | 0.998 | 0.993 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 28% PEG3350 -- 0.1M HEPES pH 7.0 -- 0.25M ammonium sulfate |
