3U15
Structure of hDMX with Dimer Inducing Indolyl Hydantoin RO-2443
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-07 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 31 |
| Unit cell lengths | 73.031, 73.031, 68.774 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.500 - 1.800 |
| R-factor | 0.1868 |
| Rwork | 0.184 |
| R-free | 0.23766 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fea |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.685 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.500 | 1.890 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.810 | 1.750 |
| Rmerge | 0.079 | 0.353 | 0.401 |
| Number of reflections | 41300 | ||
| <I/σ(I)> | 11.4 | 4.1 | 3.8 |
| Completeness [%] | 99.7 | 100 | 100 |
| Redundancy | 5.65 | 5.68 | 5.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 1.4-2.0M ammonium sulfate 1.4-2.0M NaCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
