5J7F
Structure of MDM2 with low molecular weight inhibitor with aliphatic linker.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.758, 174.750, 37.810 |
Unit cell angles | 90.00, 93.48, 90.00 |
Refinement procedure
Resolution | 87.380 - 2.000 |
R-factor | 0.186 |
Rwork | 0.183 |
R-free | 0.24230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hbm |
RMSD bond length | 0.016 |
RMSD bond angle | 2.151 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER (2.5.5) |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 87.380 | 37.740 | 2.110 |
High resolution limit [Å] | 2.004 | 6.340 | 2.004 |
Rmerge | 0.021 | 0.952 | |
Number of reflections | 32584 | ||
<I/σ(I)> | 10.8 | 27 | 0.8 |
Completeness [%] | 99.7 | 98.6 | 99.1 |
Redundancy | 3.4 | 3.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M HEPES pH 7.5 with 0.2 M NaCl and 25% PEG 3350 |