1ERM
X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHANE BORONIC ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-01-01 |
| Detector | XUONG-HAMLIN MULTIWIRE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.030, 89.060, 42.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.177 |
| Rwork | 0.177 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.900 |
| Data reduction software | SDMS |
| Data scaling software | SDMS |
| Phasing software | MLPHARE |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.870 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.069 | 0.139 |
| Number of reflections | 93628 | |
| <I/σ(I)> | 13 | |
| Completeness [%] | 92.0 | 88 |
| Redundancy | 5 | 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) |
