4KZ8
Crystal structure of AmpC beta-lactamase in complex with fragment 20 (1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione)
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] | 80 |
| Detector technology | CCD |
| Collection date | 2012-05-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115869 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.610, 77.800, 98.690 |
| Unit cell angles | 90.00, 116.59, 90.00 |
Refinement procedure
| Resolution | 29.857 - 2.282 |
| R-factor | 0.1626 |
| Rwork | 0.161 |
| R-free | 0.21270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ke4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.930 |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_1314) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.857 | 2.340 | |
| High resolution limit [Å] | 2.280 | 10.210 | 2.280 |
| Rmerge | 0.032 | 0.014 | 0.106 |
| Number of reflections | 32352 | 408 | 2605 |
| <I/σ(I)> | 28.12 | 61.31 | 10.72 |
| Completeness [%] | 88.8 | 92.9 | 98.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | 1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
