1KP3
Crystal Structure of E. coli Argininosuccinate Synthetase in Complex with ATP and Citrulline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 76.478, 104.222, 128.835 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.000 * - 2.000 |
R-factor | 0.1916 * |
Rwork | 0.192 |
R-free | 0.22940 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k92 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.470 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.000 | 2.060 |
High resolution limit [Å] | 1.990 * | 1.990 |
Rmerge | 0.082 | 0.396 |
Total number of observations | 229900 * | |
Number of reflections | 34170 * | |
<I/σ(I)> | 11.8 | |
Completeness [%] | 95.6 * | 71.9 |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | used microseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | MES | 25 (mM) | pH6.5 |
3 | 1 | drop | ATP | 5 (mM) | |
4 | 1 | drop | 15 (mM) | ||
5 | 1 | drop | guanidine hydrochloride | 150 (mM) | |
6 | 1 | drop | sodium potassium phosphate | 2.0 (M) | |
7 | 1 | drop | MES | 100 (mM) | pH6.5 |
8 | 1 | reservoir | sodium potassium phosphate | 1.6 (M) | |
9 | 1 | reservoir | MES | 100 (mM) | pH6.5 |