3TU1
Exhaustive Fluorine Scanning towards Potent p53-MDM2 Antagonist
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2011-02-07 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 49.950, 59.250, 82.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.603 |
R-factor | 0.20642 |
Rwork | 0.205 |
R-free | 0.24455 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.467 |
Data reduction software | XFIT |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.750 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 12505 | |
Completeness [%] | 97.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 277 | 0.1 M sodium acetate 18% PEG 4000 , pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |