3GR2
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 | 118.525, 76.547, 98.009 |
| Unit cell angles | 90.00, 116.36, 90.00 |
Refinement procedure
| Resolution | 32.440 - 1.800 |
| R-factor | 0.206 |
| Rwork | 0.205 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ke4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.160 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.277 | |
| Number of reflections | 72028 | |
| Completeness [%] | 98.7 | 94.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.7 | 294 | 1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
