5O1E
p53 cancer mutant Y220C im complex with compound MB577
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-09 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.976250 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.078, 71.176, 105.185 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.474 - 1.300 |
R-factor | 0.1499 |
Rwork | 0.149 |
R-free | 0.16470 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.005 |
RMSD bond angle | 0.841 |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.600 | 1.370 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.050 | 0.580 |
Number of reflections | 120220 | |
<I/σ(I)> | 13.7 | 2.7 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 4.7 | 4.7 |
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: 30 mM 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. |