3GTC
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 | 2006-05-18 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.447, 77.951, 97.881 |
| Unit cell angles | 90.00, 115.76, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.24700 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.284 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.063 | 0.032 | 0.374 |
| Number of reflections | 62779 | ||
| Completeness [%] | 98.8 | 99.6 | 97.8 |
| Redundancy | 3.8 | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 298 | 1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K, vapor diffusion, hanging drop, temperature 298K |
