6R5L
Fragment AZ-006 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 | 81.550, 111.980, 62.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.416 - 1.884 |
R-factor | 0.1946 |
Rwork | 0.192 |
R-free | 0.23790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5moc |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
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] | 26.420 | 1.930 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmeas | 0.082 | 0.372 |
Number of reflections | 23490 | 1486 |
<I/σ(I)> | 16.6 | 4.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.1 | 5.8 |
CC(1/2) | 0.998 | 0.911 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | Hepes pH 7.5, PEG 400, glycerol, Calcium chloride, DTT |