1DU5
THE CRYSTAL STRUCTURE OF ZEAMATIN.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ELLIOTT GX-20 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1993-05-04 |
Detector | SDMS |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.490, 56.720, 47.720 |
Unit cell angles | 90.00, 105.00, 90.00 |
Refinement procedure
Resolution | 5.000 - 2.500 |
R-factor | 0.176 |
Rwork | 0.167 |
R-free | 0.25800 |
RMSD bond length | 0.012 |
RMSD bond angle | 26.950 * |
Data reduction software | SDMS |
Data scaling software | SDMS |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.690 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.085 | 0.152 |
Number of reflections | 12219 | |
<I/σ(I)> | 19.8 | |
Completeness [%] | 97.2 | 93.2 |
Redundancy | 6.4 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 6.5 | 298 | PEG 8000, potassium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 20 (%) | |
2 | 1 | reservoir | potassium phosphate | 0.2 (M) |