1K9G
Crystal Structure of the Complex of Cryptolepine-d(CCTAGG)2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-05-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 64 |
| Unit cell lengths | 29.960, 29.960, 39.650 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.400 |
| R-factor | 0.208 * |
| Rwork | 0.208 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.023 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.038 | 0.330 |
| Number of reflections | 3356 | |
| <I/σ(I)> | 29.1 | 2.4 |
| Completeness [%] | 87.3 | 73.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.5 | 293 | Magnesium acetate, MES, 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 | 1 | magnesium acetate | 5 (mM) | |
| 2 | 1 | 1 | MES | 25 (mM) | pH6.5 |
| 3 | 1 | 1 | ammonium sulfate | 1.25 (M) |
