6DCX
iASPP-PP-1c structure and targeting of p53
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 12.3.1 |
| Synchrotron site | ALS |
| Beamline | 12.3.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2014-01-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.07808 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 135.462, 135.462, 165.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.870 - 3.408 |
| R-factor | 0.1902 |
| Rwork | 0.187 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3egg and 2vge |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.683 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.520 |
| High resolution limit [Å] | 3.400 | 7.320 | 3.400 |
| Rmerge | 0.297 | 0.061 | 1.747 |
| Rmeas | 0.305 | 0.063 | 1.794 |
| Rpim | 0.068 | 0.015 | 0.403 |
| Total number of observations | 422651 | ||
| Number of reflections | 21616 | 2349 | 2107 |
| <I/σ(I)> | 5.2 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 19.6 | 17.9 | 19.5 |
| CC(1/2) | 0.999 | 0.689 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.3 | 298 | Crystals of iASPP 608-828-PP-1ca complex were grown by sitting drop vapor diffusion with a reservoir solution containing 12-15% PEG6000, 0.1 M sodium citrate, pH 5.3 and were improved by seeding by hanging vapor diffusion at room temperature. |
