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 |