5LAY
Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g
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 | 2013-06-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 71.450, 71.450, 520.977 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 87.450 - 2.710 |
R-factor | 0.2521 |
Rwork | 0.251 |
R-free | 0.29170 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.132 |
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] | 87.450 | 2.960 |
High resolution limit [Å] | 2.700 | 2.710 |
Number of reflections | 22692 | |
<I/σ(I)> | 11.89 | |
Completeness [%] | 99.0 | 99.6 |
Redundancy | 6.2 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | NULL |