3TJ2
Structure of a novel submicromolar MDM2 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2010-11-22 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.440, 58.880, 49.510 |
| Unit cell angles | 90.00, 99.21, 90.00 |
Refinement procedure
| Resolution | 19.060 - 2.100 |
| R-factor | 0.22342 |
| Rwork | 0.223 |
| R-free | 0.30778 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ycr |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.707 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 9632 | |
| Completeness [%] | 98.8 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277.15 | 0.15 M Potassium bromide, 30% Polyethylene glycol mono methyl ether 2000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |
