7B4C
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C mutant bound to MQ: R273C-MQ (II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97200 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.881, 71.083, 84.923 |
Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
Resolution | 42.750 - 1.710 |
R-factor | 0.1505 |
Rwork | 0.149 |
R-free | 0.18190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ibq |
RMSD bond length | 0.015 |
RMSD bond angle | 1.934 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
High resolution limit [Å] | 1.709 | 4.640 | 1.710 |
Rmerge | 0.082 | 0.053 | 0.626 |
Rmeas | 0.090 | 0.058 | 0.690 |
Rpim | 0.036 | 0.023 | 0.287 |
Number of reflections | 87231 | 4542 | 4326 |
<I/σ(I)> | 6.1 | ||
Completeness [%] | 98.4 | 99.4 | 97 |
Redundancy | 6 | 6 | 5.6 |
CC(1/2) | 0.997 | 0.823 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.1 | 292 | 0.2M Sodium Fluoride, 20% w/v PEG 3350 |