5B0Y
Crystal structure of the nucleosome containing histone H3 with the crotonylated lysine 122
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.635, 108.773, 171.142 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.817 - 2.557 |
| R-factor | 0.2123 |
| Rwork | 0.210 |
| R-free | 0.24880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3av1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.069 |
| Data reduction software | HKL-2000 (705b) |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.1) |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
| High resolution limit [Å] | 2.550 | 5.490 | 2.550 |
| Rmerge | 0.100 | 0.073 | 0.353 |
| Rmeas | 0.105 | 0.077 | 0.401 |
| Rpim | 0.032 | 0.022 | 0.182 |
| Total number of observations | 504942 | ||
| Number of reflections | 59824 | ||
| <I/σ(I)> | 8.4 | ||
| Completeness [%] | 98.4 | 99.5 | 91.3 |
| Redundancy | 8.4 | 11.8 | 3.8 |
| CC(1/2) | 0.998 | 0.694 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | potassium cacodylate, potassium chloride, manganese chloride |
