1BLS
CRYSTALLOGRAPHIC STRUCTURE OF A PHOSPHONATE DERIVATIVE OF THE ENTEROBACTER CLOACAE P99 CEPHALOSPORINASE: MECHANISTIC INTERPRETATION OF A BETA-LACTAMASE TRANSITION STATE ANALOG
Experimental procedure
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.500, 83.470, 95.460 |
Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.300 |
R-factor | 0.192 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Refinement software | PROLSQ |
Data quality characteristics
Overall | Outer shell | |
High resolution limit [Å] | 2.320 * | |
Rmerge | 0.044 * | 0.158 * |
Total number of observations | 82494 * | |
Number of reflections | 28780 * | 7904 * |
Completeness [%] | 91.0 * | 76 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 6.5 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | PEG8000 | ||
2 | 1 | 1 | sodium cacodylate | 50 (mM) |