7NUS
X-RAY STRUCTURE OF HDM2/CMR19 AT 1.45A: Discovery, X-ray structure and CPP-conjugation enabled uptake of p53/MDM2 macrocyclic peptide inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-09-11 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 140.780, 40.306, 70.198 |
| Unit cell angles | 90.00, 112.20, 90.00 |
Refinement procedure
| Resolution | 19.510 - 1.450 |
| R-factor | 0.1776 |
| Rwork | 0.177 |
| R-free | 0.19650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zyi |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.233 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.510 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.078 | 0.473 |
| Number of reflections | 63733 | 4571 |
| <I/σ(I)> | 11.8 | 3.2 |
| Completeness [%] | 97.8 | 96.2 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 2.2 M AmSO4, 0.2 M NaAcetate |
