1O0S
Crystal Structure of Ascaris suum Malic Enzyme Complexed with NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-06-18 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.992 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 130.947, 130.947, 149.128 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.223 |
Rwork | 0.221 |
R-free | 0.27200 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1llq |
RMSD bond length | 0.015 |
RMSD bond angle | 22.156 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.090 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.056 * | 0.528 |
Total number of observations | 693156 * | |
Number of reflections | 104791 * | |
<I/σ(I)> | 21.6 | 2.77 |
Completeness [%] | 98.7 * | 98.4 |
Redundancy | 6.75 | 2.74 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 * | 298 | PEG 4000, sodium acetate, sodium tartronate, NADH, magnesium sulphate, mercaptoethanol, tris, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Tris-SO4 | 100 (mM) | pH7.3 |
2 | 1 | reservoir | sodium acetate | 100 (mM) | |
3 | 1 | reservoir | PEG4000 | 15 (%) | |
4 | 1 | reservoir | NADH | 5 (mM) | |
5 | 1 | reservoir | tartronate | 10 (mM) | |
6 | 1 | reservoir | 20 (mM) | ||
7 | 1 | reservoir | 2-mercaptoethanol | 10 (mM) | |
8 | 1 | reservoir | sodium azide | 0.02 (%) |