8AT1
CRYSTAL STRUCTURES OF ASPARTATE CARBAMOYLTRANSFERASE LIGATED WITH PHOSPHONOACETAMIDE, MALONATE, AND CTP OR ATP AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL P*H
Experimental procedure
Spacegroup name | P 3 2 1 |
Unit cell lengths | 122.200, 122.200, 155.200 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 6.000 - 2.800 |
R-factor | 0.167 * |
Rwork | 0.167 |
RMSD bond length | 0.014 |
RMSD bond angle | 3.200 |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 6.000 * |
High resolution limit [Å] | 2.800 * |
Rmerge | 0.059 * |
Total number of observations | 56017 * |
Number of reflections | 22498 * |
Completeness [%] | 78.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | dialyzing * | THE CRYSTALS WERE GROWN IN A SOLUTION OF PHOSPHONACETAMIDE (PAM) AND MALONATE (MAL) AT PH 5.8. THEY WERE THEN SOAKED IN A SOLUTION CONTAINING PAM, MAL, AND CTP AT PH 7.0. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | enzyme | 15 (mg/ml) | |
2 | 1 | 2 | PAM | 20 (mM) | |
3 | 1 | 2 | malonate | 20 (mM) | |
4 | 1 | 2 | sodium azide | 3 (mM) | |
5 | 1 | 2 | N-ethylmorpholine |