1KD5
The Crystal Structure of r(GGUCACAGCCC)2 metal free form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 98 |
Detector technology | CCD |
Collection date | 2000-08-20 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 |
Unit cell lengths | 45.388, 45.388, 51.499 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 5.000 - 1.580 |
R-factor | 0.1714 |
Rwork | 0.171 |
R-free | 0.22800 * |
Structure solution method | SIRAS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.900 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | SHELXL |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.670 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.058 | 0.558 |
Number of reflections | 13635 * | |
<I/σ(I)> | 17.7 | 1.7 |
Completeness [%] | 95.6 | 91.7 |
Redundancy | 12.1 * | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7 * | 293 | 50 mM tris HCl (pH 6.4), 1.4 M (NH4)2SO4, 20 mM MgCl2, 18 mM spermine, neomycin B, pH 6.4, VAPOR DIFFUSION, HANGING DROP at 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | tris HCl | ||
2 | 1 | 1 | (NH4)2SO4 | ||
3 | 1 | 1 | MgCl2 | ||
4 | 1 | 1 | spermine | ||
5 | 1 | 1 | neomycin B | ||
6 | 1 | 2 | tris HCl | ||
7 | 1 | 2 | (NH4)2SO4 | ||
8 | 1 | 2 | MgCl2 | ||
9 | 1 | 2 | spermine |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Tris-HCl | 50 (mM) | pH6.4 |
2 | 1 | reservoir | ammonium sulfate | 1.4 (M) | |
3 | 1 | reservoir | 20 (mM) | ||
4 | 1 | reservoir | 18 (mM) | ||
5 | 1 | drop | protein | 4 (mg/ml) | |
6 | 1 | drop | Tris-HCl | 10 (mM) | pH7.0 |
7 | 1 | drop | 5 (mM) |