6RWU
Fragment AZ-010 binding at the p53pT387/14-3-3 sigma interface
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-28 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.117, 111.852, 62.884 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.380 - 1.460 |
R-factor | 0.191 |
Rwork | 0.190 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5moc |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7 PACIOREK) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.190 | 1.530 |
High resolution limit [Å] | 1.460 | 1.460 |
Number of reflections | 40944 | 1436 |
<I/σ(I)> | 19 | 3.3 |
Completeness [%] | 80.3 | 19.8 |
Redundancy | 6.3 | 2.7 |
CC(1/2) | 0.997 | 0.777 |
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. |