7EDS
Human p53 core domain with germline hot spot mutation M133T in complex with the natural PIG3 p53-response element and Arsenic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97916 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.530, 49.880, 33.950 |
| Unit cell angles | 90.00, 93.31, 90.00 |
Refinement procedure
| Resolution | 46.880 - 1.770 |
| R-factor | 0.2109 |
| Rwork | 0.210 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j1y |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.681 |
| 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] | 46.880 | 46.880 | 1.820 |
| High resolution limit [Å] | 1.770 | 7.920 | 1.770 |
| Rmerge | 0.097 | 0.056 | 0.580 |
| Rmeas | 0.116 | 0.068 | 0.693 |
| Rpim | 0.063 | 0.038 | 0.376 |
| Total number of observations | 73821 | 740 | 5098 |
| Number of reflections | 22225 | 263 | 1567 |
| <I/σ(I)> | 9.1 | 19 | 2.2 |
| Completeness [%] | 98.8 | 95.3 | 96.6 |
| Redundancy | 3.3 | 2.8 | 3.3 |
| CC(1/2) | 0.993 | 0.991 | 0.737 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M Tris pH 8.5-9, 17-19% PEG20000, 0.1 M MgCl2, 2 mM EDTA, 2 mM As2O3 |
