8J81
MDM2 bound with a peptoid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-25 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.521, 45.815, 63.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.210 - 1.350 |
| R-factor | 0.1706 |
| Rwork | 0.169 |
| R-free | 0.18960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.897 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.210 | 1.370 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmeas | 0.066 | |
| Number of reflections | 54705 | 7938 |
| <I/σ(I)> | 13.66 | |
| Completeness [%] | 98.1 | 98.1 |
| Redundancy | 6.01 | 2.86 |
| CC(1/2) | 0.999 | 0.504 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 1M Sodium Acetate trihydrate pH4.5, 3.0 M Sodium Chrolide. Peptoid dissolved in DMSO was included. The final DMSO concentration was 2.4% |
