4ZFI
Structure of Mdm2 with low molecular weight inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-05 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.360, 70.250, 96.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.780 - 2.000 |
| R-factor | 0.1999 |
| Rwork | 0.198 |
| R-free | 0.24330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lbl |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.159 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER (2.5.5) |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.780 | 2.071 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.108 | 0.424 |
| Number of reflections | 31037 | |
| <I/σ(I)> | 8.38 | 2.61 |
| Completeness [%] | 99.7 | 99.54 |
| Redundancy | 5.8 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M HEPES pH 7.5, 0.2 M sodium chloride, 25% (w/v) PEG 3350 |
