4KZ7
Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid)
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 | 2012-02-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115869 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.340, 77.610, 97.700 |
| Unit cell angles | 90.00, 116.05, 90.00 |
Refinement procedure
| Resolution | 29.602 - 1.430 |
| R-factor | 0.1465 |
| Rwork | 0.145 |
| R-free | 0.17860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ke4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.299 |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.602 | 1.470 | |
| High resolution limit [Å] | 1.430 | 6.400 | 1.430 |
| Rmerge | 0.052 | 0.027 | 0.692 |
| Number of reflections | 147125 | 1489 | 10844 |
| <I/σ(I)> | 13.56 | 30.61 | 2.04 |
| Completeness [%] | 99.6 | 85.6 | 99.7 |
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 |
