7NA2
HDM2 in complex with compound 56
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-03-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.925, 68.341, 42.105 |
Unit cell angles | 90.00, 113.12, 90.00 |
Refinement procedure
Resolution | 38.740 - 1.860 |
R-factor | 0.1934 |
Rwork | 0.186 |
R-free | 0.25850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.025 |
RMSD bond angle | 2.440 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.740 | 2.110 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.094 | 0.574 |
Rmeas | 0.108 | 0.028 |
Number of reflections | 16664 | 5155 |
<I/σ(I)> | 13.85 | 3.8 |
Completeness [%] | 98.8 | 98.1 |
Redundancy | 4 | 4 |
CC(1/2) | 0.998 | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | undisclosed |