8A92
p53-Y220C Core Domain in Complex with a Bromo-trifluoro-pyrazole-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-09 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.9188 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.077, 71.109, 105.226 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.680 - 1.370 |
R-factor | 0.1536 |
Rwork | 0.153 |
R-free | 0.18320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4agl |
RMSD bond length | 0.008 |
RMSD bond angle | 0.994 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.450 |
High resolution limit [Å] | 1.370 | 1.370 |
Rmeas | 0.117 | 2.570 |
Number of reflections | 103036 | 16479 |
<I/σ(I)> | 14.4 | 1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.2 | 13.3 |
CC(1/2) | 0.990 | 0.497 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.15 | 293 | 100 mM HEPES (pH = 7.15), 19 % PEG4000 and 10 mM DTT |