7EEU
Human p53 core domain with hot spot mutation R282W in complex with the natural CDKN1A(p21) p53-response element and Arsenic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-05 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.03314 |
| Spacegroup name | P 1 |
| Unit cell lengths | 73.815, 95.575, 99.646 |
| Unit cell angles | 89.62, 89.85, 75.79 |
Refinement procedure
| Resolution | 45.390 - 2.900 |
| R-factor | 0.2353 |
| Rwork | 0.234 |
| R-free | 0.26430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j1y |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.481 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.320 | 46.320 | 2.990 |
| High resolution limit [Å] | 2.880 | 11.960 | 2.900 |
| Rmerge | 0.092 | 0.042 | 0.576 |
| Rmeas | 0.107 | 0.050 | 0.667 |
| Rpim | 0.055 | 0.026 | 0.336 |
| Total number of observations | 2664 | 18021 | |
| Number of reflections | 52345 | 746 | 4614 |
| <I/σ(I)> | 8.5 | 22.2 | 2.1 |
| Completeness [%] | 89.4 | 90 | 90.1 |
| Redundancy | 3.8 | 3.6 | 3.9 |
| CC(1/2) | 0.997 | 0.997 | 0.931 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M Sodium acetate, 0.1 M HEPES pH 8.0, 10% w/v PEG 4000, 2mM EDTA and 2mM As2O3 |
