4UE1
Structure of the stapled peptide YS-01 bound to MDM2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-08 |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.104, 69.462, 78.562 |
| Unit cell angles | 90.00, 101.96, 90.00 |
Refinement procedure
| Resolution | 76.860 - 1.450 |
| R-factor | 0.14262 |
| Rwork | 0.140 |
| R-free | 0.18367 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ycr |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.604 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.530 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.030 | 0.580 |
| Number of reflections | 84267 | |
| <I/σ(I)> | 16.1 | 1.7 |
| Completeness [%] | 98.1 | 84.4 |
| Redundancy | 3.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.2 | 0.1 M SODIUM CITRATE PH 4.2, 0.2 M SODIUM CHLORIDE AND 20 % PEG8000 |
