3VBG
Structure of hDM2 with Dimer Inducing Indolyl Hydantoin RO-2443
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 32 |
| Unit cell lengths | 64.392, 64.392, 167.587 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.800 |
| R-factor | 0.18416 |
| Rwork | 0.182 |
| R-free | 0.21989 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1rv1 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.808 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.053 | 0.442 |
| Number of reflections | 19100 | |
| <I/σ(I)> | 13 | 1.5 |
| Completeness [%] | 99.5 | 98.9 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 54% saturated ammonium sulfate, 0.1M Tris, 5% PEG 550 mme, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 6.5 |
