4OBA
Co-crystal structure of MDM2 with Inhibitor Compound 4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 56.729, 98.674, 106.687 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.850 - 1.602 |
R-factor | 0.2896 |
Rwork | 0.288 |
R-free | 0.31320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4erf |
RMSD bond length | 0.006 |
RMSD bond angle | 1.099 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
Rmerge | 0.110 | 0.075 | 0.481 |
Number of reflections | 39558 | ||
<I/σ(I)> | 12.8 | ||
Completeness [%] | 99.7 | 98.1 | 99.3 |
Redundancy | 5.7 | 5.6 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 1.6-2.3M Ammonium Sulfate, 0.1M citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |