2VUK
Structure of the p53 core domain mutant Y220C bound to the stabilizing small-molecule drug PhiKan083
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-07 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.093, 71.234, 105.207 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.100 - 1.500 |
R-factor | 0.186 |
Rwork | 0.186 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j1x |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Phasing software | CNS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.100 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.070 | 0.230 |
Number of reflections | 76025 | |
<I/σ(I)> | 17.7 | 5.6 |
Completeness [%] | 96.6 | 83.4 |
Redundancy | 5.6 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 294 | SITTING DROP VAPOR DIFFUSION AT 21 DEGREE C. 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 % PEG 4000, 5 MM DTT. CRYSTALS WERE SOAKED WITH 10 MM PHIKAN083 IN CRYO BUFFER CONTAINING 100 MM HEPES PH 7.2, 10 MM SODIUM PHOSPHATE PH 7.2, 19 % PEG 4000, 20 % GLYCEROL, 150 MM KCL. |