7BIR
Inhibitor of MDM2-p53 Interaction
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-14 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 71.459, 71.459, 101.201 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.800 - 2.020 |
R-factor | 0.22 |
Rwork | 0.219 |
R-free | 0.24300 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.012 |
RMSD bond angle | 1.000 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.890 | 2.110 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.192 | 2.616 |
Number of reflections | 10626 | 1336 |
<I/σ(I)> | 14.3 | |
Completeness [%] | 100.0 | |
Redundancy | 18.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 2M (NH4)2SO4 5% PEG 400 .1M pH=6.5 Na MES/HCl |