1KD4
The Crystal Structure of r(GGUCACAGCCC)2, Barium form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 98 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-06-05 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 |
| Unit cell lengths | 39.990, 39.990, 52.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.850 |
| R-factor | 0.202 * |
| Rwork | 0.203 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | metal free r(GGUCACAGCCC)2 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 10.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.092 | 0.400 |
| Number of reflections | 7128 | |
| <I/σ(I)> | 19.9 | 1.8 |
| Completeness [%] | 99.7 | 98.4 |
| Redundancy | 5.4 * | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7 * | 293 | MPD, 40mM Na cacodylate (pH 6.0), 12 mM spermine 4HCl, 80 mM KCl, 20 mM BaCl2, 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 | spermine HCl | ||
| 3 | 1 | 1 | KCl | ||
| 4 | 1 | 1 | BaCl2 | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 2 | spermine HCl | ||
| 7 | 1 | 2 | KCl | ||
| 8 | 1 | 2 | BaCl2 | ||
| 9 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4 (mg/ml) | |
| 2 | 1 | drop | 80 (mM) | ||
| 3 | 1 | drop | 20 (mM) | ||
| 4 | 1 | drop | MPD | 10 (%(v/v)) | |
| 5 | 1 | drop | sodium cacodylate | 40 (mM) | pH6.0 |
| 6 | 1 | drop | spermine-4HCl | 12 (mM) | |
| 7 | 1 | reservoir | MPD | 30 (%) |
