1ERQ
X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1999-02-04 |
Detector | RIGAKU RAXIS II |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.222, 89.039, 42.088 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.192 |
Rwork | 0.192 |
RMSD bond length | 0.009 * |
RMSD bond angle | 1.900 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.069 * | 0.719 |
Total number of observations | 73805 * | |
Number of reflections | 18128 | |
<I/σ(I)> | 5 | |
Completeness [%] | 67.3 | 67.3 |
Redundancy | 4 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 8 | 298 | phosphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | phosphate | 1.5 (M) |