5O1I
p53 cancer mutant Y220C in complex with compound MB710
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-09 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979490 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.004, 71.087, 105.226 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.559 - 1.400 |
R-factor | 0.1589 |
Rwork | 0.157 |
R-free | 0.18670 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2j1x |
RMSD bond length | 0.006 |
RMSD bond angle | 0.817 |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.600 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.056 | 0.490 |
Number of reflections | 96489 | |
<I/σ(I)> | 15.7 | 3.1 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 5.5 | 5.3 |
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 compound 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. |