7BIV
Inhibitor of MDM2-p53 Interaction
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-14 |
Detector | DECTRIS PILATUS3 X CdTe 1M |
Wavelength(s) | 0.95373 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 71.646, 71.646, 100.483 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.020 - 1.640 |
R-factor | 0.227 |
Rwork | 0.227 |
R-free | 0.23700 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.050 | 1.680 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.063 | 1.319 |
Number of reflections | 19381 | 1243 |
<I/σ(I)> | 24.4 | |
Completeness [%] | 99.9 | |
Redundancy | 17.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 2.4M (NH4)2SO4 .1M pH=6 MES/NaOH |