4JV9
Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 59.848, 59.848, 75.248 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
Rwork | 0.240 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.089 | 0.391 |
Number of reflections | 5456 | |
Completeness [%] | 94.7 | 68.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 100 mM HEPES, pH 7.0, 2.1-2.6 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |