37ZR
Crystal structure of TP53 (89-293, Y220C) bound to compound 3
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.490, 68.540, 59.600 |
| Unit cell angles | 90.00, 99.28, 90.00 |
Refinement procedure
| Resolution | 44.660 - 2.390 |
| Rwork | 0.220 |
| R-free | 0.29910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.283 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.660 | 2.480 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.892 | |
| Rmeas | 1.062 | |
| Rpim | 0.570 | |
| Number of reflections | 16019 | 1672 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.996 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M ammonium sulfate, 25 %w/v PEG 3350, 0.1 M Bis-Tris pH 6.5 |
