6SI0
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9323
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999998 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.878, 71.140, 104.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.937 - 1.530 |
R-factor | 0.1447 |
Rwork | 0.143 |
R-free | 0.17140 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2j1x |
RMSD bond length | 0.006 |
RMSD bond angle | 0.774 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.940 | 1.560 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.053 | 0.636 |
Rmeas | 0.060 | 0.729 |
Rpim | 0.029 | 0.351 |
Total number of observations | 297953 | |
Number of reflections | 72947 | 3518 |
<I/σ(I)> | 14.1 | 2.5 |
Completeness [%] | 99.0 | 97.7 |
Redundancy | 4.1 | 3.9 |
CC(1/2) | 0.999 | 0.798 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of PK9323 in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl. |