1DVL
CRYSTAL STRUCTURE OF THE 1:1 NETROPSIN-DECAMER D(CCIICICCII)2 COMPLEX WITH ONLY ONE DRUG BOUND AT ONE END
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 62.400, 24.470, 36.310 |
| Unit cell angles | 90.00, 110.09, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.400 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 * |
| RMSD bond angle | 1.500 * |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.500 | |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.037 | |
| Number of reflections | 1795 | |
| Completeness [%] | 62.7 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 4 MM DNA (SINGLE STRAND), 0.008M MGCL2, 0.04 M NA CACODYLATE (PH 6.5), 2MM NETROPSIN, VAPOR DIFFUSION, HANGING DROP at 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | SODIUM CACODYLATE | ||
| 2 | 1 | 1 | MGCL2 | ||
| 3 | 1 | 2 | MGCL2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 4 (mM) | single strand concentration |
| 2 | 1 | drop | cacodylate | 0.01 (M) | pH6.5 |
| 3 | 1 | drop | 4 (mM) | ||
| 4 | 1 | drop | ammonium bicarbonate | 10 (mM) | |
| 5 | 1 | drop | netropsin | 2 (mM) | |
| 6 | 1 | reservoir | MPD | 60 (%) |
