4OGN
Co-Crystal Structure of MDM2 with Inhbitor Compound 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-20 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 45.517, 45.517, 208.624 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.734 - 1.377 |
R-factor | 0.1948 |
Rwork | 0.194 |
R-free | 0.22250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4erf |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.450 |
High resolution limit [Å] | 1.377 | 3.020 | 1.377 |
Rmerge | 0.097 | 0.082 | |
Number of reflections | 25881 | ||
<I/σ(I)> | 7.2 | ||
Completeness [%] | 99.8 | 98.7 | 100 |
Redundancy | 13.1 | 10.2 | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 0.8-1.8M Ammonium Sulfate, 0.1M sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |