1KD3
The Crystal Structure of r(GGUCACAGCCC)2, Thallium form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 98 |
Detector technology | IMAGE PLATE |
Collection date | 2000-05-31 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 |
Unit cell lengths | 44.232, 44.232, 49.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.720 - 1.800 |
R-factor | 0.215 |
Rwork | 0.215 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | metal free r(GGUCACAGCCC)2 |
RMSD bond length | 0.004 |
RMSD bond angle | 11.100 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.067 * | 0.510 |
Number of reflections | 9195 * | |
<I/σ(I)> | 28.7 | 3.7 |
Completeness [%] | 99.6 * | 99.1 * |
Redundancy | 4.33 * | 9.3 |
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 | cacodylate | 40 (mM) | pH6.5 |
2 | 1 | reservoir | ammonium sulfate | 1.4 (M) | |
3 | 1 | reservoir | spermine | 12 (mM) | |
4 | 1 | reservoir | thallium acetate | 80 (mM) | |
5 | 1 | drop | protein | 4 (mg/ml) | |
6 | 1 | drop | Tris-HCl | 10 (mM) | pH7.0 |
7 | 1 | drop | 5 (mM) |