6RWH
Fragment AZ-007 binding at a primary and secondary binding site of the the p53pT387/14-3-3 sigma complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-21 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.642, 112.176, 63.089 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.710 - 1.680 |
R-factor | 0.18969 |
Rwork | 0.188 |
R-free | 0.22667 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5moc |
RMSD bond length | 0.011 |
RMSD bond angle | 1.660 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.090 | 1.770 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.081 | |
Rmeas | 0.095 | 0.920 |
Number of reflections | 31425 | 3270 |
<I/σ(I)> | 14.5 | 2 |
Completeness [%] | 94.1 | 67.5 |
Redundancy | 6.3 | 3 |
CC(1/2) | 0.998 | 0.719 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT. |