1JG8
Crystal Structure of Threonine Aldolase (Low-specificity)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-05-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9794, 0.9796, 0.9686 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 95.890, 100.600, 149.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.2083 |
Rwork | 0.207 |
R-free | 0.22200 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.063 | 0.218 |
Number of reflections | 132307 | |
<I/σ(I)> | 27.5 | 7.8 |
Completeness [%] | 98.3 | 99.4 |
Redundancy | 7.8 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Peg 400, NaCl, HEPES, CaCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |