417D
A THYMINE-LIKE BASE ANALOGUE FORMS WOBBLE PAIRS WITH ADENINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 150 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-10-19 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 17.338, 31.432, 44.486 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.500 |
| R-factor | 0.15 |
| Rwork | 0.155 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.014 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | AMoRE |
| Refinement software | SHELXL-93 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.560 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.086 | 0.104 |
| Number of reflections | 3920 | |
| <I/σ(I)> | 21.08 | 11.92 |
| Completeness [%] | 97.5 | 92.5 |
| Redundancy | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 4 * | CRYSTALS WERE OBTAINED FROM A SOLUTION THAT CONTAINED NA CACODYLATE, MG CHLORIDE, SPERMINE, MPD., pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 277.00K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | NA CACODYLATE | ||
| 2 | 1 | 1 | MGCL2 | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | oligonucleotide | 4.8 (mM) | single stranded |
| 2 | 1 | drop | sodium cacodylate | 2.5 (mM) | |
| 3 | 1 | drop | 20 (mM) | ||
| 4 | 1 | drop | spermine | 5 (mM) | |
| 5 | 1 | drop | 1.6 (%(v/v)) | ||
| 6 | 1 | reservoir | MPD | 100 (%(v/v)) |
