1OYX
CRYSTAL STRUCTURE OF 3-MBT REPEATS OF LETHAL (3) MALIGNANT BRAIN TUMOR (SELENO-MET) AT 1.85 ANGSTROM
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-15 |
| Wavelength(s) | 1.06334, 0.97935, 0.97914, 0.95668 |
| Spacegroup name | P 32 |
| Unit cell lengths | 105.656, 105.656, 90.369 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 * - 1.850 |
| R-factor | 0.20853 |
| Rwork | 0.207 |
| R-free | 0.23800 * |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.580 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| 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 | 0.059 | 0.550 |
| Number of reflections | 88637 * | 4088 * |
| Completeness [%] | 97.0 * | 94.2 * |
| 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) |
