1PWF
One Sugar Pucker Fits All: Pairing Versatility Despite Conformational Uniformity in TNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2002-07-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.429, 44.522, 47.332 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.160 |
| R-factor | 0.133 |
| Rwork | 0.133 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dpl |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.026 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.200 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.062 | 0.297 |
| Number of reflections | 18354 | |
| Completeness [%] | 98.8 | 94.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | Sodium Cacodylate, Sodium Chloride, Barium Chloride, Spermine tetrahydrochloride, 2-methyl-2,4-pentanediol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Sodium Cacodylate | ||
| 10 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | Sodium Chloride | ||
| 3 | 1 | 1 | Barium Chloride | ||
| 4 | 1 | 1 | Spermine tetrahydrochloride | ||
| 5 | 1 | 1 | 2-methyl-2,4-pentanediol | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | Sodium Cacodylate | ||
| 8 | 1 | 2 | Sodium Chloride | ||
| 9 | 1 | 2 | Barium Chloride |
