1OZ3
Crystal Structure of 3-MBT repeats of lethal (3) malignant Brain Tumor (Native-I) at 1.85 angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 32 |
| Unit cell lengths | 105.255, 105.255, 90.486 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 * - 1.850 |
| R-factor | 0.21255 |
| Rwork | 0.211 |
| R-free | 0.24500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oyx |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.815 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.13) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.055 | 0.478 |
| Number of reflections | 112768 * | 8263 * |
| Completeness [%] | 99.9 * | 100 * |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6.5 | 20 * | PEG MME 5000, MES, DTT, ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | dithiothreitol | 100 (mM) | |
| 2 | 1 | reservoir | MES | 100 (mM) | pH6.5 |
| 3 | 1 | reservoir | ammonium sulfate | 0.15 (mM) | |
| 4 | 1 | reservoir | PEG5000 MME | 20 (%) | |
| 5 | 1 | reservoir | dithiothreitol | 10 (mM) |
