8DC4
Crystal structure of p53 Y220C covalently bound to carbazole KG3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2021-12-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 31 |
Unit cell lengths | 68.560, 68.560, 220.212 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 59.370 - 2.400 |
R-factor | 0.1758 |
Rwork | 0.161 |
R-free | 0.23130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j1x |
RMSD bond length | 0.011 |
RMSD bond angle | 1.075 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.370 | 2.486 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 45347 | 6668 |
<I/σ(I)> | 5 | |
Completeness [%] | 100.0 | |
Redundancy | 4.6 | |
CC(1/2) | 0.959 | 0.533 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 100 mM HEPES, 2.2M MgSO4 |