3GSG
AmpC beta-lactamase in complex with Fragment-based Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-25 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.594, 75.930, 97.659 |
| Unit cell angles | 90.00, 116.37, 90.00 |
Refinement procedure
| Resolution | 45.270 - 2.100 |
| R-factor | 0.194 |
| Rwork | 0.191 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ke4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.545 |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.300 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.482 | |
| Number of reflections | 52364 | |
| <I/σ(I)> | 1.6 | |
| Completeness [%] | 99.7 | 98.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.7 | 298 | 1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
