4KZ6
Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-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 | 2012-05-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115869 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.090, 77.080, 97.540 |
| Unit cell angles | 90.00, 116.36, 90.00 |
Refinement procedure
| Resolution | 29.516 - 1.680 |
| R-factor | 0.1552 |
| Rwork | 0.154 |
| R-free | 0.17850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ke4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.452 |
| 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] | 29.516 | 1.720 | |
| High resolution limit [Å] | 1.680 | 7.510 | 1.680 |
| Rmerge | 0.040 | 0.020 | 0.491 |
| Number of reflections | 89087 | 1000 | 6543 |
| <I/σ(I)> | 19.36 | 50.95 | 2.58 |
| Completeness [%] | 99.6 | 93.7 | 99.8 |
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 |
