6RKK
Fragment AZ-021 binding at the p53pT387/14-3-3 sigma interface
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-09 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54187 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.120, 112.420, 62.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.640 - 1.880 |
R-factor | 0.198 |
Rwork | 0.194 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5moc |
RMSD bond length | 0.011 |
RMSD bond angle | 1.047 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.600 | 1.930 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmeas | 0.276 | 0.861 |
Number of reflections | 23784 | 1479 |
<I/σ(I)> | 4.2 | 1.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.9 | 4.6 |
CC(1/2) | 0.947 | 0.562 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT. |