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 |