1IEM
Crystal Structure of AmpC beta-lactamase from E. coli in Complex with a Boronic Acid Inhibitor (1, CefB4)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-07-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.560, 78.060, 97.240 |
| Unit cell angles | 90.00, 115.44, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.182 * |
| Rwork | 0.182 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fsy |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.510 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.075 | 0.359 |
| Total number of observations | 137203 * | |
| Number of reflections | 35024 * | |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 98.8 | 99.9 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 23 * | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | potassium phosphate | 1.7 (M) | |
| 2 | 1 | drop | protein | 0.095 (mM) | |
| 3 | 1 | reservoir | DMSO | 2 (%) | |
| 4 | 1 | reservoir | potassium phosphate | 1.7 (M) |
